1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-benzyl-2-(4-phenylmethoxyphenyl)ethanamine

2.1.2 InChI

InChI=1S/C22H23NO/c1-3-7-20(8-4-1)17-23-16-15-19-11-13-22(14-12-19)24-18-21-9-5-2-6-10-21/h1-14,23H,15-18H2

2.1.3 InChI Key

XBGMECOKYONDPM-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C(C=C1)CNCCC2=CC=C(C=C2)OCC3=CC=CC=C3

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. N,o-dibenzyl-tyramine

2. 32293-42-8

3. Chembl425579

4. Benzyl-[2-(4-benzyloxyphenyl)-ethyl]-amine

5. Lauricacidn-amylester

6. Schembl2587466

7. Dtxsid30329751

8. Zinc1564849

9. Bdbm50181804

10. Akos015965302

11. N-benzyl-2-(4-(benzyloxy)phenyl)ethan-1-amine

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₂₂H₂₃NO
Molecular Weight	317.4 g/mol
XLogP3	4.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	8
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	21.3
Heavy Atom Count	24
Formal Charge	0
Complexity	312
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

CAS 32293-42-8