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Also known as: 1049695-95-5, 4-methoxy-alpha-methyl-n-(phenylmethyl)benzeneethanamine hydrochloride, N-benzyl-1-(4-methoxyphenyl)propan-2-amine;hydrochloride, Zhj7le5llg, Schembl1134234, Niosh/sg9730000
Molecular Formula
C17H22ClNO
Molecular Weight
291.8  g/mol
InChI Key
SUSBWRIJXPEFFJ-UHFFFAOYSA-N
FDA UNII
ZHJ7LE5LLG

CAS 1049695-95-5
1 2D Structure

CAS 1049695-95-5

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
N-benzyl-1-(4-methoxyphenyl)propan-2-amine;hydrochloride
2.1.2 InChI
InChI=1S/C17H21NO.ClH/c1-14(18-13-16-6-4-3-5-7-16)12-15-8-10-17(19-2)11-9-15;/h3-11,14,18H,12-13H2,1-2H3;1H
2.1.3 InChI Key
SUSBWRIJXPEFFJ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(CC1=CC=C(C=C1)OC)NCC2=CC=CC=C2.Cl
2.2 Other Identifiers
2.2.1 UNII
ZHJ7LE5LLG
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 1049695-95-5

2. 4-methoxy-alpha-methyl-n-(phenylmethyl)benzeneethanamine Hydrochloride

3. N-benzyl-1-(4-methoxyphenyl)propan-2-amine;hydrochloride

4. Zhj7le5llg

5. Schembl1134234

6. Niosh/sg9730000

7. Zrb69595

8. Mfcd01708434

9. Akos025286049

10. Ds-9507

11. Ac-28726

12. Cs-0154059

13. Sg97300000

14. 1-(4-methoxyphenyl)-2-benzylaminopropane Hcl

15. D94888

16. A896125

17. N-benzyl-p-methoxy-alpha-methylphenethylamine Hydrochloride

18. Phenethylamine, N-benzyl-p-methoxy-alpha-methyl-, Hydrochloride

19. Benzeneethanamine, 4-methoxy-alpha-methyl-n-(phenylmethyl)-, Hydrochloride (1:1)

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 291.8 g/mol
Molecular Formula C17H22ClNO
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area21.3
Heavy Atom Count20
Formal Charge0
Complexity229
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

BUILDING BLOCK

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