2-benzyl-3-methoxy-2-phenylpropan-1-amine

C17H21NO — CID 139652108

IUPAC2-benzyl-3-methoxy-2-phenylpropan-1-amine
SMILESCOCC(CN)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H21NO/c1-19-14-17(13-18,16-10-6-3-7-11-16)12-15-8-4-2-5-9-15/h2-11H,12-14,18H2,1H3
InChIKeyHEUICAHNSPXUJB-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.77
Rot. Bonds6

About 2-benzyl-3-methoxy-2-phenylpropan-1-amine

2-benzyl-3-methoxy-2-phenylpropan-1-amine (PubChem CID 139652108) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-benzyl-3-methoxy-2-phenylpropan-1-amine.

Molecular Properties

Compound Name2-benzyl-3-methoxy-2-phenylpropan-1-amine
PubChem CID139652108
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name2-benzyl-3-methoxy-2-phenylpropan-1-amine
SMILESCOCC(CN)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H21NO/c1-19-14-17(13-18,16-10-6-3-7-11-16)12-15-8-4-2-5-9-15/h2-11H,12-14,18H2,1H3
InChIKeyHEUICAHNSPXUJB-UHFFFAOYSA-N
XLogP2.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-methylphenyl)methyl]-2-phenylbutan-1-amine
CID 55106632
2-[(4-chlorophenyl)methyl]-2-phenylbutan-1-amine
CID 55106585
2,2-dimethylpropylbenzene;1-methoxy-2,2-dimethylpropane;methoxymethane
CID 160968956
(2-benzyl-1,4-diphenylbutan-2-yl)benzene
CID 21493579
(1,4-dimethoxy-2,3-dimethyl-3-phenylbutan-2-yl)benzene
CID 131848966
2-(aminomethyl)-3-(3-fluorophenyl)-2-phenylpropan-1-ol
CID 106508050
2-(aminomethyl)-3-(3-bromo-4-methoxyphenyl)-2-phenylpropan-1-ol
CID 106508119
2-N,2-N-dibenzyl-3-methoxy-2-methylpropane-1,2-diamine
CID 130158297
2-[(3,4-dichlorophenyl)methyl]-2-phenylbutan-1-amine
CID 63523051
1,1,2-triphenylethanamine;hydrobromide
CID 175347021
(3S)-3-methoxy-3,4-diphenylbutan-1-ol
CID 11817715
2-[(1-ethylpyrazol-4-yl)methyl]-2-phenylbutan-1-amine
CID 62723308

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-methoxy-2-phenylpropan-1-amine?
The IUPAC name of 2-benzyl-3-methoxy-2-phenylpropan-1-amine (CID 139652108) is 2-benzyl-3-methoxy-2-phenylpropan-1-amine.
What is the SMILES notation for 2-benzyl-3-methoxy-2-phenylpropan-1-amine?
The canonical SMILES for 2-benzyl-3-methoxy-2-phenylpropan-1-amine is COCC(CN)(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 2-benzyl-3-methoxy-2-phenylpropan-1-amine?
The InChIKey is HEUICAHNSPXUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-19-14-17(13-18,16-10-6-3-7-11-16)12-15-8-4-2-5-9-15/h2-11H,12-14,18H2,1H3.
What are the key properties of 2-benzyl-3-methoxy-2-phenylpropan-1-amine?
2-benzyl-3-methoxy-2-phenylpropan-1-amine has a molecular weight of 255.36 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-methoxy-2-phenylpropan-1-amine is sourced from PubChem (CID 139652108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).