3-anilino-2-methyl-1-phenylpropan-1-one

C16H17NO — CID 13467340

IUPAC3-anilino-2-methyl-1-phenylpropan-1-one
SMILESCC(CNc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C16H17NO/c1-13(12-17-15-10-6-3-7-11-15)16(18)14-8-4-2-5-9-14/h2-11,13,17H,12H2,1H3
InChIKeyYKPJSXJDGXIWKU-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.62
Rot. Bonds5

About 3-anilino-2-methyl-1-phenylpropan-1-one

3-anilino-2-methyl-1-phenylpropan-1-one (PubChem CID 13467340) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-anilino-2-methyl-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-anilino-2-methyl-1-phenylpropan-1-one
PubChem CID13467340
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name3-anilino-2-methyl-1-phenylpropan-1-one
SMILESCC(CNc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C16H17NO/c1-13(12-17-15-10-6-3-7-11-15)16(18)14-8-4-2-5-9-14/h2-11,13,17H,12H2,1H3
InChIKeyYKPJSXJDGXIWKU-UHFFFAOYSA-N
XLogP3.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-(4-phenylanilino)propanoic acid
CID 62253496
3-(methoxymethylamino)-2-methyl-1-phenylpropan-1-one
CID 119081869
3-methyl-4-oxo-4-phenylbutanoic acid
CID 12559087
(3S)-3-methyl-4-oxo-4-phenylbutanoic acid
CID 51900528
3-anilino-2-methylpropanethioamide
CID 82075999
[4-(2-hydroxypropylamino)phenyl]-phenylmethanone
CID 59712632
2-anilino-1-phenylpropan-1-one
CID 577481
methyl 3-methyl-4-oxo-4-phenylbutanoate
CID 10774657
benzyl N-(2-methyl-3-oxo-3-phenylpropyl)carbamate
CID 10236470
3-amino-2-(anilinomethyl)butanoic acid
CID 22626953
5-hydroxy-2-methyl-1-phenylpentan-1-one
CID 67106278
potassium trifluoro-(2-methyl-3-oxo-3-phenylpropyl)boranuide
CID 25215129

Frequently Asked Questions

What is the IUPAC name of 3-anilino-2-methyl-1-phenylpropan-1-one?
The IUPAC name of 3-anilino-2-methyl-1-phenylpropan-1-one (CID 13467340) is 3-anilino-2-methyl-1-phenylpropan-1-one.
What is the SMILES notation for 3-anilino-2-methyl-1-phenylpropan-1-one?
The canonical SMILES for 3-anilino-2-methyl-1-phenylpropan-1-one is CC(CNc1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of 3-anilino-2-methyl-1-phenylpropan-1-one?
The InChIKey is YKPJSXJDGXIWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-13(12-17-15-10-6-3-7-11-15)16(18)14-8-4-2-5-9-14/h2-11,13,17H,12H2,1H3.
What are the key properties of 3-anilino-2-methyl-1-phenylpropan-1-one?
3-anilino-2-methyl-1-phenylpropan-1-one has a molecular weight of 239.32 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-2-methyl-1-phenylpropan-1-one is sourced from PubChem (CID 13467340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).