3-anilino-1-(2,4,6-trimethylphenyl)propan-1-one

C18H21NO — CID 94278612

IUPAC3-anilino-1-(2,4,6-trimethylphenyl)propan-1-one
SMILESCc1cc(C)c(C(=O)CCNc2ccccc2)c(C)c1
InChIInChI=1S/C18H21NO/c1-13-11-14(2)18(15(3)12-13)17(20)9-10-19-16-7-5-4-6-8-16/h4-8,11-12,19H,9-10H2,1-3H3
InChIKeyGYZRTKFBRDXRPM-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.30
Rot. Bonds5

About 3-anilino-1-(2,4,6-trimethylphenyl)propan-1-one

3-anilino-1-(2,4,6-trimethylphenyl)propan-1-one (PubChem CID 94278612) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-anilino-1-(2,4,6-trimethylphenyl)propan-1-one.

Molecular Properties

Compound Name3-anilino-1-(2,4,6-trimethylphenyl)propan-1-one
PubChem CID94278612
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name3-anilino-1-(2,4,6-trimethylphenyl)propan-1-one
SMILESCc1cc(C)c(C(=O)CCNc2ccccc2)c(C)c1
InChIInChI=1S/C18H21NO/c1-13-11-14(2)18(15(3)12-13)17(20)9-10-19-16-7-5-4-6-8-16/h4-8,11-12,19H,9-10H2,1-3H3
InChIKeyGYZRTKFBRDXRPM-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

ethyl 3-anilinopropanoate
CID 10910393
3,3-diphenyl-1-(2,4,6-trimethylphenyl)propan-1-one
CID 3112974
1-(3,4-dimethylphenyl)-3-(4-methylanilino)propan-1-one
CID 94278599
3-anilino-N,N-dimethylpropanamide
CID 60961994
N-methyl-4-oxo-4-(2,4,6-trimethylphenyl)butanamide
CID 82116197
3-anilino-1-(4-methoxyphenyl)propan-1-one
CID 766931
4-oxo-4-(2,4,6-trimethylphenyl)butanamide
CID 82079539
N-(3-anilinopropyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 56586633
3-[ethyl(phenyl)phosphanyl]oxy-1-(2,4,6-trimethylphenyl)propan-1-one
CID 154349504
3-anilino-N-[(4-methylphenyl)methyl]propanamide
CID 109019803
3-anilino-1-pyridin-2-ylpropan-1-one
CID 12523109
3-anilino-1-thiophen-2-ylpropan-1-one
CID 2824394

Frequently Asked Questions

What is the IUPAC name of 3-anilino-1-(2,4,6-trimethylphenyl)propan-1-one?
The IUPAC name of 3-anilino-1-(2,4,6-trimethylphenyl)propan-1-one (CID 94278612) is 3-anilino-1-(2,4,6-trimethylphenyl)propan-1-one.
What is the SMILES notation for 3-anilino-1-(2,4,6-trimethylphenyl)propan-1-one?
The canonical SMILES for 3-anilino-1-(2,4,6-trimethylphenyl)propan-1-one is Cc1cc(C)c(C(=O)CCNc2ccccc2)c(C)c1.
What is the InChIKey of 3-anilino-1-(2,4,6-trimethylphenyl)propan-1-one?
The InChIKey is GYZRTKFBRDXRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-13-11-14(2)18(15(3)12-13)17(20)9-10-19-16-7-5-4-6-8-16/h4-8,11-12,19H,9-10H2,1-3H3.
What are the key properties of 3-anilino-1-(2,4,6-trimethylphenyl)propan-1-one?
3-anilino-1-(2,4,6-trimethylphenyl)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 3-anilino-1-(2,4,6-trimethylphenyl)propan-1-one is sourced from PubChem (CID 94278612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).