1-(3,4-dimethylphenyl)-3-(4-methylanilino)propan-1-one

C18H21NO — CID 94278599

IUPAC1-(3,4-dimethylphenyl)-3-(4-methylanilino)propan-1-one
SMILESCc1ccc(NCCC(=O)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C18H21NO/c1-13-4-8-17(9-5-13)19-11-10-18(20)16-7-6-14(2)15(3)12-16/h4-9,12,19H,10-11H2,1-3H3
InChIKeyVRXBTEMUHXRFMP-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.30
Rot. Bonds5

About 1-(3,4-dimethylphenyl)-3-(4-methylanilino)propan-1-one

1-(3,4-dimethylphenyl)-3-(4-methylanilino)propan-1-one (PubChem CID 94278599) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-(4-methylanilino)propan-1-one.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-(4-methylanilino)propan-1-one
PubChem CID94278599
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name1-(3,4-dimethylphenyl)-3-(4-methylanilino)propan-1-one
SMILESCc1ccc(NCCC(=O)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C18H21NO/c1-13-4-8-17(9-5-13)19-11-10-18(20)16-7-6-14(2)15(3)12-16/h4-9,12,19H,10-11H2,1-3H3
InChIKeyVRXBTEMUHXRFMP-UHFFFAOYSA-N
XLogP4.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-dimethylanilino)-1-(4-fluorophenyl)propan-1-one
CID 4051768
1-(3,4-dimethylphenyl)-3-(2-fluoroanilino)propan-1-one
CID 94281167
2-(3,4-dimethylanilino)-1-(4-methylphenyl)ethanone
CID 82119902
1-(4-methoxy-3-methylphenyl)-2-(4-methylanilino)ethanone
CID 94279481
4-(3,4-dimethylphenyl)-N-(4-fluorophenyl)-4-oxobutanamide
CID 9040199
3,4-dimethyl-N-(4-methylphenyl)benzamide
CID 3950718
3-(2,6-dimethylanilino)-1-(4-methylphenyl)propan-1-one
CID 94278587
4-amino-1-(3,4-dimethylphenyl)butan-1-one
CID 55267484
3-(3,4-dimethylanilino)propanamide
CID 43131963
4-(3,4-dimethylphenyl)-N-ethyl-4-oxobutanamide
CID 94261400
methyl 4-[[3-(3,4-dimethylanilino)-3-oxopropyl]amino]benzoate
CID 109035468
3-(3,4-dimethylanilino)-1-(4-methylphenyl)but-3-en-1-one
CID 2290990

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-(4-methylanilino)propan-1-one?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-(4-methylanilino)propan-1-one (CID 94278599) is 1-(3,4-dimethylphenyl)-3-(4-methylanilino)propan-1-one.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-(4-methylanilino)propan-1-one?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-(4-methylanilino)propan-1-one is Cc1ccc(NCCC(=O)c2ccc(C)c(C)c2)cc1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-(4-methylanilino)propan-1-one?
The InChIKey is VRXBTEMUHXRFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-13-4-8-17(9-5-13)19-11-10-18(20)16-7-6-14(2)15(3)12-16/h4-9,12,19H,10-11H2,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)-3-(4-methylanilino)propan-1-one?
1-(3,4-dimethylphenyl)-3-(4-methylanilino)propan-1-one has a molecular weight of 267.37 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3-(4-methylanilino)propan-1-one is sourced from PubChem (CID 94278599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).