1-(4-methoxyphenyl)-2-(methylamino)-3-phenylpropan-1-one

C17H19NO2 — CID 153316064

IUPAC1-(4-methoxyphenyl)-2-(methylamino)-3-phenylpropan-1-one
SMILESCNC(Cc1ccccc1)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C17H19NO2/c1-18-16(12-13-6-4-3-5-7-13)17(19)14-8-10-15(20-2)11-9-14/h3-11,16,18H,12H2,1-2H3
InChIKeyFDOAYAXPWPXUJD-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.71
Rot. Bonds6

About 1-(4-methoxyphenyl)-2-(methylamino)-3-phenylpropan-1-one

1-(4-methoxyphenyl)-2-(methylamino)-3-phenylpropan-1-one (PubChem CID 153316064) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-(methylamino)-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-(methylamino)-3-phenylpropan-1-one
PubChem CID153316064
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name1-(4-methoxyphenyl)-2-(methylamino)-3-phenylpropan-1-one
SMILESCNC(Cc1ccccc1)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C17H19NO2/c1-18-16(12-13-6-4-3-5-7-13)17(19)14-8-10-15(20-2)11-9-14/h3-11,16,18H,12H2,1-2H3
InChIKeyFDOAYAXPWPXUJD-UHFFFAOYSA-N
XLogP2.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1,2-bis(4-methoxyphenyl)-3-phenylpropan-1-one
CID 95560671
4-(4-methoxyphenyl)-3-(methylamino)-4-oxobutanoic acid
CID 82322522
(2S)-2-[(4-methoxybenzoyl)amino]-3-phenylpropanoic acid
CID 919358
methyl (2R)-3-(4-methoxyphenyl)-2-(methylamino)propanoate
CID 10889521
[(2S)-1-(4-methoxyphenyl)-1-oxo-3-phenylpropan-2-yl] acetate
CID 15421892
2,3-bis[(4-methoxyphenyl)methyl]-1,4-diphenylbutane-1,4-dione
CID 14434324
3-(4-methoxyphenyl)-2-(methylamino)propanamide
CID 19003692
benzyl (2S)-2-[(4-methoxybenzoyl)amino]-3-phenylpropanoate
CID 177492417
(2S)-2-(methylamino)-3-phenylpropanoic acid
CID 6951135
(2S,3S)-3-(4-methoxyphenyl)-2-methyl-1,4-diphenylbutan-1-one
CID 139118862
methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 2496939
[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 4-methoxybenzoate
CID 7862103

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-(methylamino)-3-phenylpropan-1-one?
The IUPAC name of 1-(4-methoxyphenyl)-2-(methylamino)-3-phenylpropan-1-one (CID 153316064) is 1-(4-methoxyphenyl)-2-(methylamino)-3-phenylpropan-1-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-(methylamino)-3-phenylpropan-1-one?
The canonical SMILES for 1-(4-methoxyphenyl)-2-(methylamino)-3-phenylpropan-1-one is CNC(Cc1ccccc1)C(=O)c1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-(methylamino)-3-phenylpropan-1-one?
The InChIKey is FDOAYAXPWPXUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-18-16(12-13-6-4-3-5-7-13)17(19)14-8-10-15(20-2)11-9-14/h3-11,16,18H,12H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-2-(methylamino)-3-phenylpropan-1-one?
1-(4-methoxyphenyl)-2-(methylamino)-3-phenylpropan-1-one has a molecular weight of 269.34 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-(methylamino)-3-phenylpropan-1-one is sourced from PubChem (CID 153316064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).