DRL offers a portfolio of products & services, including APIs, CMO services, generics, biosimilars & differentiated formulations.

Contact Supplier

Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

ACCESS ALL DATA
Browse all information
CHEMISTRY
Discover Molecule Insights

ACTIVE PHARMA INGREDIENTS

1 API Suppliers, 1 USDMF

1 API Suppliers
1 USDMF

Synopsis

ACTIVE PHARMA INGREDIENTS

API Suppliers

USDMF

CEP/COS

JDMF

EU WC

KDMF

NDC API

VMF

Listed Suppliers

API REF. PRICE (USD/KG)

$ 0

MARKET PLACE

API

FDF

0INTERMEDIATES

FINISHED DOSAGE FORMULATIONS

FDF Dossiers

FDA Orange Book

Europe

Canada

Australia

South Africa

Listed Dossiers

0 DRUGS IN DEVELOPMENT

DRUG PRODUCT COMPOSITIONS

REF. STANDARDS OR IMPURITIES

EDQM

USP

Others

PATENTS & EXCLUSIVITIES

US Patents

US Exclusivities

Health Canada Patents

DIGITAL CONTENT

Data Compilation #PharmaFlow

Stock Recap #PipelineProspector

Weekly News Recap #Phispers

News #PharmaBuzz

GLOBAL SALES INFORMATION

US Medicaid (USD)

Annual Reports (USD Million)

Finished Drug Prices

0RELATED EXCIPIENT COMPANIES

0EXCIPIENTS BY APPLICATIONS

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: 175591-17-0, (2r,3r)-3-(3-methoxyphenyl)-n,n,2-trimethylpentan-1-amine hydrochloride, (2r,3r)-3-(3-methoxyphenyl)-n,n,2-trimethylpentanamine hydrochloride, Bph1eom45f, 3(3-methoxyphenyl)-n,n,2-trimethyl pentane-1-amine hydrochloride, (2r,3r)-, (2r,3r)-3-(3-methoxyphenyl)-n,n,2-trimethylpentan-1-amine;hydrochloride

Molecular Formula

C₁₅H₂₆ClNO

Molecular Weight

271.82 g/mol

InChI Key

XKSJVTDZSYZBGF-SBKWZQTDSA-N

FDA UNII

BPH1EOM45F

1 2D Structure

Benzenepropanamine G-Ethyl-3-Methoxy-N-N-B-Trimethyl-Hydrochloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2R,3R)-3-(3-methoxyphenyl)-N,N,2-trimethylpentan-1-amine;hydrochloride

2.1.2 InChI

InChI=1S/C15H25NO.ClH/c1-6-15(12(2)11-16(3)4)13-8-7-9-14(10-13)17-5;/h7-10,12,15H,6,11H2,1-5H3;1H/t12-,15+;/m0./s1

2.1.3 InChI Key

XKSJVTDZSYZBGF-SBKWZQTDSA-N

2.1.4 Canonical SMILES

CCC(C1=CC(=CC=C1)OC)C(C)CN(C)C.Cl

2.1.5 Isomeric SMILES

CC[C@@H](C1=CC(=CC=C1)OC)[C@@H](C)CN(C)C.Cl

2.2 Other Identifiers

2.2.1 UNII

BPH1EOM45F

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 175591-17-0

2. (2r,3r)-3-(3-methoxyphenyl)-n,n,2-trimethylpentan-1-amine Hydrochloride

3. (2r,3r)-3-(3-methoxyphenyl)-n,n,2-trimethylpentanamine Hydrochloride

4. Bph1eom45f

5. 3(3-methoxyphenyl)-n,n,2-trimethyl Pentane-1-amine Hydrochloride, (2r,3r)-

6. (2r,3r)-3-(3-methoxyphenyl)-n,n,2-trimethylpentan-1-amine;hydrochloride

7. (betar,gammar)-gamma-ethyl-3-methoxy-n,n,beta-trimethylbenzenepropanamine Hydrochloride

8. Unii-bph1eom45f

9. Schembl733827

10. Dtxsid10170001

11. Cs-m1896

12. Mfcd16039222

13. (2r, 3r)-3-(3-methoxyphenyl)-n,n,2-trimethylpentan-1-amine Hydrochloride

14. Akos015901595

15. Benzenepropanamine, Gamma-ethyl-3-methoxy-n,n,beta-trimethyl-, Hydrochloride (1:1), (betar,gammar)-

16. Q27274794

17. (2r,3r)-3-(3-methoxyphenyl)-n,n,2-trimethyl-pentanamine Hcl

18. (2r,3r)-3-(3-methoxyphenyl)-n,n,2-trimethylpentanamine Hcl

19. (2r,3r)-3-(3-methoxyphenyl)-n,n,2-trimethylpentan-1-amine Hcl

20. (2r,3r)-[3-(3-methoxy Phenyl)-2-methyl Pentyl]dimethylamine Hydrochloride

21. Benzenepropanamine, .gamma.-ethyl-3-methoxy-n,n,.beta.-trimethyl-, Hydrochloride (1:1), (.beta.r,.gamma.r)-

2.4 Create Date

2008-05-19

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₂₆ClNO
Molecular Weight	271.82 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	271.1702921 g/mol
Monoisotopic Mass	271.1702921 g/mol
Topological Polar Surface Area	12.5 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	205
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2