3-(2,6-dimethylanilino)-1-(4-methylphenyl)propan-1-one

C18H21NO — CID 94278587

IUPAC3-(2,6-dimethylanilino)-1-(4-methylphenyl)propan-1-one
SMILESCc1ccc(C(=O)CCNc2c(C)cccc2C)cc1
InChIInChI=1S/C18H21NO/c1-13-7-9-16(10-8-13)17(20)11-12-19-18-14(2)5-4-6-15(18)3/h4-10,19H,11-12H2,1-3H3
InChIKeyMOPRAMDILKHKRE-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.30
Rot. Bonds5

About 3-(2,6-dimethylanilino)-1-(4-methylphenyl)propan-1-one

3-(2,6-dimethylanilino)-1-(4-methylphenyl)propan-1-one (PubChem CID 94278587) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-(2,6-dimethylanilino)-1-(4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name3-(2,6-dimethylanilino)-1-(4-methylphenyl)propan-1-one
PubChem CID94278587
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name3-(2,6-dimethylanilino)-1-(4-methylphenyl)propan-1-one
SMILESCc1ccc(C(=O)CCNc2c(C)cccc2C)cc1
InChIInChI=1S/C18H21NO/c1-13-7-9-16(10-8-13)17(20)11-12-19-18-14(2)5-4-6-15(18)3/h4-10,19H,11-12H2,1-3H3
InChIKeyMOPRAMDILKHKRE-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

1-[3-(4-methylphenyl)-3-oxopropyl]-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 108874433
3-(2,6-dimethylanilino)-N-(2,6-dimethylphenyl)propanamide
CID 109035764
3-(2,6-dimethylanilino)-1-thiophen-2-ylpropan-1-one
CID 94272976
1-(3,4-dimethylphenyl)-3-(4-methylanilino)propan-1-one
CID 94278599
N-tert-butyl-3-(2,6-dimethylanilino)propanamide
CID 109031328
4-(4-methylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)-4-oxobutanamide
CID 108796274
1-(2,6-diethylphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874505
3-(2-ethyl-6-methylanilino)-N-(4-methylphenyl)propanamide
CID 109034345
1-(3-hydroxyphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874418
1-(4-bromophenyl)-3-(2,4-dimethylanilino)propan-1-one
CID 100817184
1-(4-chlorophenyl)-3-(3-methylanilino)propan-1-one
CID 94283002
3-(2,6-dimethylanilino)-N-(2,3-dimethylphenyl)propanamide
CID 109035849

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylanilino)-1-(4-methylphenyl)propan-1-one?
The IUPAC name of 3-(2,6-dimethylanilino)-1-(4-methylphenyl)propan-1-one (CID 94278587) is 3-(2,6-dimethylanilino)-1-(4-methylphenyl)propan-1-one.
What is the SMILES notation for 3-(2,6-dimethylanilino)-1-(4-methylphenyl)propan-1-one?
The canonical SMILES for 3-(2,6-dimethylanilino)-1-(4-methylphenyl)propan-1-one is Cc1ccc(C(=O)CCNc2c(C)cccc2C)cc1.
What is the InChIKey of 3-(2,6-dimethylanilino)-1-(4-methylphenyl)propan-1-one?
The InChIKey is MOPRAMDILKHKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-13-7-9-16(10-8-13)17(20)11-12-19-18-14(2)5-4-6-15(18)3/h4-10,19H,11-12H2,1-3H3.
What are the key properties of 3-(2,6-dimethylanilino)-1-(4-methylphenyl)propan-1-one?
3-(2,6-dimethylanilino)-1-(4-methylphenyl)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-(2,6-dimethylanilino)-1-(4-methylphenyl)propan-1-one is sourced from PubChem (CID 94278587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).