1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-benzyl-2-(2-methoxyphenoxy)ethanamine;hydrochloride

2.1.2 InChI

InChI=1S/C16H19NO2.ClH/c1-18-15-9-5-6-10-16(15)19-12-11-17-13-14-7-3-2-4-8-14;/h2-10,17H,11-13H2,1H3;1H

2.1.3 InChI Key

LPPGMNZKTILZQO-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=CC=CC=C1OCCNCC2=CC=CC=C2.Cl

2.2 Other Identifiers

2.2.1 UNII

SDQ91JBZ31

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 120606-08-8

2. Skf-106025 Hcl

3. N-(2-(2-methoxyphenoxy)ethyl)benzylamine Hydrochloride

4. Sdq91jbz31

5. N-benzyl-2-(2-methoxyphenoxy)ethanamine;hydrochloride

6. N-[2-(2-methoxyphenoxy)ethyl]benzylaminehydrochloride

7. Benzenemethanamine, N-(2-(2-methoxyphenoxy)ethyl)-, Hydrochloride

8. Unii-sdq91jbz31

9. Benzyl-n-(2-(2-methoxy-phenoxy)-ethyl)amine Hydrochloride

10. Ec 428-290-8

11. Schembl8159235

12. Dtxsid00152932

13. 246m035

14. N-[2-(2-methoxy Phenoxy) Ethyl] Benzyl Amine Hcl

15. Q27289153

2.4 Create Date

2011-10-30

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₂₀ClNO₂
Molecular Weight	293.79 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Exact Mass	293.1182566 g/mol
Monoisotopic Mass	293.1182566 g/mol
Topological Polar Surface Area	30.5 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	229
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	2

KB-203181