1-anilino-3-(3,4-dimethylphenyl)propan-2-one

C17H19NO — CID 116555415

IUPAC1-anilino-3-(3,4-dimethylphenyl)propan-2-one
SMILESCc1ccc(CC(=O)CNc2ccccc2)cc1C
InChIInChI=1S/C17H19NO/c1-13-8-9-15(10-14(13)2)11-17(19)12-18-16-6-4-3-5-7-16/h3-10,18H,11-12H2,1-2H3
InChIKeyZCYNDSGBKZRYQD-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.53
Rot. Bonds5

About 1-anilino-3-(3,4-dimethylphenyl)propan-2-one

1-anilino-3-(3,4-dimethylphenyl)propan-2-one (PubChem CID 116555415) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-anilino-3-(3,4-dimethylphenyl)propan-2-one.

Molecular Properties

Compound Name1-anilino-3-(3,4-dimethylphenyl)propan-2-one
PubChem CID116555415
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name1-anilino-3-(3,4-dimethylphenyl)propan-2-one
SMILESCc1ccc(CC(=O)CNc2ccccc2)cc1C
InChIInChI=1S/C17H19NO/c1-13-8-9-15(10-14(13)2)11-17(19)12-18-16-6-4-3-5-7-16/h3-10,18H,11-12H2,1-2H3
InChIKeyZCYNDSGBKZRYQD-UHFFFAOYSA-N
XLogP3.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-anilino-3-(3-fluoro-4-methoxyphenyl)propan-2-one
CID 116555256
1-(3,4-dimethylphenyl)-3-phenoxypropan-2-one
CID 62716544
1-anilino-3-(2-methoxy-5-methylphenyl)propan-2-one
CID 116555445
2-[[2-(3,4-dimethylphenyl)acetyl]amino]acetic acid
CID 60657051
4-amino-1-(3,4-dimethylphenyl)-4-phenylbutan-2-one
CID 116553095
1-(cyclopentylamino)-3-(3,4-dimethylphenyl)propan-2-one
CID 116559120
4-amino-1-(3,4-dimethylphenyl)-4-methylpentan-2-one
CID 116581156
1-(3,4-dimethylphenyl)-5,5-dimethylhexan-2-one
CID 62901853
N,2-bis(3,4-dimethylphenyl)acetamide
CID 2600237
1-(3-bromophenyl)-3-(3,4-dimethylphenyl)propan-2-one
CID 55186208
5-amino-1-(3,4-dimethylphenyl)-5-phenylpentan-2-one
CID 116570888
2-(3,4-dimethylphenyl)-1-(1-phenylcyclopropyl)ethanone
CID 62880387

Frequently Asked Questions

What is the IUPAC name of 1-anilino-3-(3,4-dimethylphenyl)propan-2-one?
The IUPAC name of 1-anilino-3-(3,4-dimethylphenyl)propan-2-one (CID 116555415) is 1-anilino-3-(3,4-dimethylphenyl)propan-2-one.
What is the SMILES notation for 1-anilino-3-(3,4-dimethylphenyl)propan-2-one?
The canonical SMILES for 1-anilino-3-(3,4-dimethylphenyl)propan-2-one is Cc1ccc(CC(=O)CNc2ccccc2)cc1C.
What is the InChIKey of 1-anilino-3-(3,4-dimethylphenyl)propan-2-one?
The InChIKey is ZCYNDSGBKZRYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-13-8-9-15(10-14(13)2)11-17(19)12-18-16-6-4-3-5-7-16/h3-10,18H,11-12H2,1-2H3.
What are the key properties of 1-anilino-3-(3,4-dimethylphenyl)propan-2-one?
1-anilino-3-(3,4-dimethylphenyl)propan-2-one has a molecular weight of 253.34 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anilino-3-(3,4-dimethylphenyl)propan-2-one is sourced from PubChem (CID 116555415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).