3-amino-1-(2-methoxyphenyl)-3-phenylpropan-1-one

C16H17NO2 — CID 116553157

IUPAC3-amino-1-(2-methoxyphenyl)-3-phenylpropan-1-one
SMILESCOc1ccccc1C(=O)CC(N)c1ccccc1
InChIInChI=1S/C16H17NO2/c1-19-16-10-6-5-9-13(16)15(18)11-14(17)12-7-3-2-4-8-12/h2-10,14H,11,17H2,1H3
InChIKeyYZVSZXYZWGKRQZ-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.97
Rot. Bonds5

About 3-amino-1-(2-methoxyphenyl)-3-phenylpropan-1-one

3-amino-1-(2-methoxyphenyl)-3-phenylpropan-1-one (PubChem CID 116553157) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-amino-1-(2-methoxyphenyl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name3-amino-1-(2-methoxyphenyl)-3-phenylpropan-1-one
PubChem CID116553157
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name3-amino-1-(2-methoxyphenyl)-3-phenylpropan-1-one
SMILESCOc1ccccc1C(=O)CC(N)c1ccccc1
InChIInChI=1S/C16H17NO2/c1-19-16-10-6-5-9-13(16)15(18)11-14(17)12-7-3-2-4-8-12/h2-10,14H,11,17H2,1H3
InChIKeyYZVSZXYZWGKRQZ-UHFFFAOYSA-N
XLogP2.97
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
3-amino-N-[(2-methoxyphenyl)methyl]-3-phenylpropanamide
CID 24698834
3-amino-N-[1-(2-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 119948894
3-amino-1-(2-fluoro-5-methylphenyl)-3-phenylpropan-1-one
CID 116553012
3-amino-3-[4-(2-methoxyphenoxy)phenyl]propanoic acid
CID 135367552
3-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)-3-phenylpropan-1-one
CID 114668323
2-fluoro-1-(2-methoxyphenyl)ethanone
CID 11816076
[2-(2-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate
CID 7811189
(2R,3R)-2-hydroxy-1-(2-methoxyphenyl)-5-(4-methoxyphenyl)-3-phenylpentane-1,5-dione
CID 101235083
3-amino-N,N-dimethyl-3-phenylpropanamide
CID 24691874
2-amino-1-(2-methoxyphenyl)-4-methylpentan-1-one
CID 75357386
3-amino-1-(2-methoxyphenyl)-3-methylbutan-1-one
CID 116581224

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-methoxyphenyl)-3-phenylpropan-1-one?
The IUPAC name of 3-amino-1-(2-methoxyphenyl)-3-phenylpropan-1-one (CID 116553157) is 3-amino-1-(2-methoxyphenyl)-3-phenylpropan-1-one.
What is the SMILES notation for 3-amino-1-(2-methoxyphenyl)-3-phenylpropan-1-one?
The canonical SMILES for 3-amino-1-(2-methoxyphenyl)-3-phenylpropan-1-one is COc1ccccc1C(=O)CC(N)c1ccccc1.
What is the InChIKey of 3-amino-1-(2-methoxyphenyl)-3-phenylpropan-1-one?
The InChIKey is YZVSZXYZWGKRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-19-16-10-6-5-9-13(16)15(18)11-14(17)12-7-3-2-4-8-12/h2-10,14H,11,17H2,1H3.
What are the key properties of 3-amino-1-(2-methoxyphenyl)-3-phenylpropan-1-one?
3-amino-1-(2-methoxyphenyl)-3-phenylpropan-1-one has a molecular weight of 255.32 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-methoxyphenyl)-3-phenylpropan-1-one is sourced from PubChem (CID 116553157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).