2-[(4-methoxyphenyl)methylamino]-1-(4-methylphenyl)propan-1-one

C18H21NO2 — CID 82100112

IUPAC2-[(4-methoxyphenyl)methylamino]-1-(4-methylphenyl)propan-1-one
SMILESCOc1ccc(CNC(C)C(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H21NO2/c1-13-4-8-16(9-5-13)18(20)14(2)19-12-15-6-10-17(21-3)11-7-15/h4-11,14,19H,12H2,1-3H3
InChIKeyROKGPVHBVGSVTO-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.36
Rot. Bonds6

About 2-[(4-methoxyphenyl)methylamino]-1-(4-methylphenyl)propan-1-one

2-[(4-methoxyphenyl)methylamino]-1-(4-methylphenyl)propan-1-one (PubChem CID 82100112) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methylamino]-1-(4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methylamino]-1-(4-methylphenyl)propan-1-one
PubChem CID82100112
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-[(4-methoxyphenyl)methylamino]-1-(4-methylphenyl)propan-1-one
SMILESCOc1ccc(CNC(C)C(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H21NO2/c1-13-4-8-16(9-5-13)18(20)14(2)19-12-15-6-10-17(21-3)11-7-15/h4-11,14,19H,12H2,1-3H3
InChIKeyROKGPVHBVGSVTO-UHFFFAOYSA-N
XLogP3.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylphenyl)-2-[(4-methylphenyl)methylamino]propan-1-one
CID 82100240
methyl 2-[(4-methoxyphenyl)methylamino]propanoate
CID 60780821
ethane;2-[(4-methoxyphenyl)methylamino]propanoic acid
CID 91562631
methyl 2-[(4-methylphenyl)methylamino]propanoate
CID 19362169
(2S)-1-(4-methoxyphenyl)-2-(methylamino)propan-1-one
CID 51371469
1-(4-methoxyphenyl)-2-(3-methoxypropylamino)propan-1-one
CID 82100724
1-(4-aminophenyl)-2-[(4-methoxyphenyl)methylamino]butan-1-one
CID 82258145
2-(4-methoxyphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 42892656
N-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 26695901
(2R)-N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)methylamino]propanamide
CID 9322127
4-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-4-oxobutanamide
CID 20969140
(2S)-2-[(4-methoxyphenyl)methylamino]propanal
CID 151027433

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methylamino]-1-(4-methylphenyl)propan-1-one?
The IUPAC name of 2-[(4-methoxyphenyl)methylamino]-1-(4-methylphenyl)propan-1-one (CID 82100112) is 2-[(4-methoxyphenyl)methylamino]-1-(4-methylphenyl)propan-1-one.
What is the SMILES notation for 2-[(4-methoxyphenyl)methylamino]-1-(4-methylphenyl)propan-1-one?
The canonical SMILES for 2-[(4-methoxyphenyl)methylamino]-1-(4-methylphenyl)propan-1-one is COc1ccc(CNC(C)C(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methylamino]-1-(4-methylphenyl)propan-1-one?
The InChIKey is ROKGPVHBVGSVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-13-4-8-16(9-5-13)18(20)14(2)19-12-15-6-10-17(21-3)11-7-15/h4-11,14,19H,12H2,1-3H3.
What are the key properties of 2-[(4-methoxyphenyl)methylamino]-1-(4-methylphenyl)propan-1-one?
2-[(4-methoxyphenyl)methylamino]-1-(4-methylphenyl)propan-1-one has a molecular weight of 283.37 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methylamino]-1-(4-methylphenyl)propan-1-one is sourced from PubChem (CID 82100112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).