1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-benzyl-6-(4-phenylbutoxy)hexan-1-amine;hydrochloride

2.1.2 InChI

InChI=1S/C23H33NO.ClH/c1(10-18-24-21-23-16-7-4-8-17-23)2-11-19-25-20-12-9-15-22-13-5-3-6-14-22;/h3-8,13-14,16-17,24H,1-2,9-12,15,18-21H2;1H

2.1.3 InChI Key

UIVMHLBJOQNSSR-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C(C=C1)CCCCOCCCCCCNCC2=CC=CC=C2.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 163923-18-0

2. N-benzyl-6-(4-phenylbutoxy)hexan-1-amine;hydrochloride

3. Starbld0023174

4. Schembl454214

5. 6-(4-phenylbutoxy)-n-benzylhexan-1-amine Hcl

6. N-(benzyl-6-(4-phenylbutoxy)-hexane-1-amine Hydrochloride

2.3 Create Date

2007-07-23

3 Chemical and Physical Properties

Molecular Formula	C₂₃H₃₄ClNO
Molecular Weight	376.0 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	14
Exact Mass	375.2328924 g/mol
Monoisotopic Mass	375.2328924 g/mol
Topological Polar Surface Area	21.3 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	282
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

CAS 163923-18-0