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Also known as: N,o-dibenzyl-tyramine, 32293-42-8, Chembl425579, Benzyl-[2-(4-benzyloxyphenyl)-ethyl]-amine, Lauricacidn-amylester, Schembl2587466
Molecular Formula
C22H23NO
Molecular Weight
317.4  g/mol
InChI Key
XBGMECOKYONDPM-UHFFFAOYSA-N

CAS 32293-42-8
1 2D Structure

CAS 32293-42-8

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 Weight 317.4 g/mol
Molecular Formula C22H23NO
XLogP34.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area21.3
Heavy Atom Count24
Formal Charge0
Complexity312
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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