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CAS 140836-70-0

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CHEMISTRY

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Also known as: 140836-70-0, 2-[3-(aminomethyl)phenoxy]-n,n-dimethylethanamine, {3-[2-(dimethylamino)ethoxy]phenyl}methanamine, 2-(3-(aminomethyl)phenoxy)-n,n-dimethylethanamine, Schembl781665, Dtxsid301251057

Molecular Formula

C₁₁H₁₈N₂O

Molecular Weight

194.27 g/mol

InChI Key

CJJHPYWTHROFEE-UHFFFAOYSA-N

CAS 140836-70-0

1 2D Structure

CAS 140836-70-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[3-(aminomethyl)phenoxy]-N,N-dimethylethanamine

2.1.2 InChI

InChI=1S/C11H18N2O/c1-13(2)6-7-14-11-5-3-4-10(8-11)9-12/h3-5,8H,6-7,9,12H2,1-2H3

2.1.3 InChI Key

CJJHPYWTHROFEE-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN(C)CCOC1=CC=CC(=C1)CN

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 140836-70-0

2. 2-[3-(aminomethyl)phenoxy]-n,n-dimethylethanamine

3. {3-[2-(dimethylamino)ethoxy]phenyl}methanamine

4. 2-(3-(aminomethyl)phenoxy)-n,n-dimethylethanamine

5. Schembl781665

6. Dtxsid301251057

7. Zinc11956737

8. Akos000127388

9. Cs-0249424

10. 2(3-aminomethyl-phenoxy)-ethyl-dimethyl-amine

11. 3-[2-(dimethylamino)ethoxy]benzenemethanamine

12. En300-43453

13. 1-{3-[2-(dimethylamino)ethoxy]phenyl}methanamine

2.3 Create Date

2007-11-13

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₈N₂O
Molecular Weight	194.27 g/mol
XLogP3	0.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	194.141913202 g/mol
Monoisotopic Mass	194.141913202 g/mol
Topological Polar Surface Area	38.5 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	150
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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