1-(4-methoxyphenyl)-2-(1-phenylethylamino)ethanone

C17H19NO2 — CID 82104513

IUPAC1-(4-methoxyphenyl)-2-(1-phenylethylamino)ethanone
SMILESCOc1ccc(C(=O)CNC(C)c2ccccc2)cc1
InChIInChI=1S/C17H19NO2/c1-13(14-6-4-3-5-7-14)18-12-17(19)15-8-10-16(20-2)11-9-15/h3-11,13,18H,12H2,1-2H3
InChIKeyAXUGXFAAFASIJP-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.23
Rot. Bonds6

About 1-(4-methoxyphenyl)-2-(1-phenylethylamino)ethanone

1-(4-methoxyphenyl)-2-(1-phenylethylamino)ethanone (PubChem CID 82104513) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-(1-phenylethylamino)ethanone.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-(1-phenylethylamino)ethanone
PubChem CID82104513
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name1-(4-methoxyphenyl)-2-(1-phenylethylamino)ethanone
SMILESCOc1ccc(C(=O)CNC(C)c2ccccc2)cc1
InChIInChI=1S/C17H19NO2/c1-13(14-6-4-3-5-7-14)18-12-17(19)15-8-10-16(20-2)11-9-15/h3-11,13,18H,12H2,1-2H3
InChIKeyAXUGXFAAFASIJP-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-phenylacetamide
CID 81368463
2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-methylacetamide
CID 81371329
5-(4-methoxyphenyl)-5-oxo-2,3-diphenylpentanoic acid
CID 11111556
(E)-4-[1-(4-methoxyphenyl)ethylamino]-3-methylbut-2-enoic acid
CID 103256077
3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(4-methoxyphenyl)propan-1-one;hydrochloride
CID 122190796
1-(4-methoxyphenyl)-2-(1-phenylethylamino)ethanol
CID 60766376
1-(3-fluorophenyl)-2-(1-phenylethylamino)ethanone
CID 67351553
N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-methylpropanamide
CID 94262490
1-(4-methoxyphenyl)-2-(2-methylpropylamino)ethanone
CID 94258475
oxalic acid;1-(4-phenoxyphenyl)-2-(propan-2-ylamino)ethanone
CID 19597477
1-(4-methoxyphenyl)-2-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]ethanone
CID 110825707
3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]propanoic acid
CID 81371134

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-(1-phenylethylamino)ethanone?
The IUPAC name of 1-(4-methoxyphenyl)-2-(1-phenylethylamino)ethanone (CID 82104513) is 1-(4-methoxyphenyl)-2-(1-phenylethylamino)ethanone.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-(1-phenylethylamino)ethanone?
The canonical SMILES for 1-(4-methoxyphenyl)-2-(1-phenylethylamino)ethanone is COc1ccc(C(=O)CNC(C)c2ccccc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-(1-phenylethylamino)ethanone?
The InChIKey is AXUGXFAAFASIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-13(14-6-4-3-5-7-14)18-12-17(19)15-8-10-16(20-2)11-9-15/h3-11,13,18H,12H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-2-(1-phenylethylamino)ethanone?
1-(4-methoxyphenyl)-2-(1-phenylethylamino)ethanone has a molecular weight of 269.34 g/mol, XLogP of 3.23, 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-(1-phenylethylamino)ethanone is sourced from PubChem (CID 82104513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).