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

C18H21NO — CID 4563863

IUPAC3-(3,4-dimethylanilino)-1-(4-methylphenyl)propan-1-one
SMILESCc1ccc(C(=O)CCNc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C18H21NO/c1-13-4-7-16(8-5-13)18(20)10-11-19-17-9-6-14(2)15(3)12-17/h4-9,12,19H,10-11H2,1-3H3
InChIKeyOATZBCJRZYTJNB-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.30
Rot. Bonds5

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

3-(3,4-dimethylanilino)-1-(4-methylphenyl)propan-1-one (PubChem CID 4563863) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-(3,4-dimethylanilino)-1-(4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name3-(3,4-dimethylanilino)-1-(4-methylphenyl)propan-1-one
PubChem CID4563863
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name3-(3,4-dimethylanilino)-1-(4-methylphenyl)propan-1-one
SMILESCc1ccc(C(=O)CCNc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C18H21NO/c1-13-4-7-16(8-5-13)18(20)10-11-19-17-9-6-14(2)15(3)12-17/h4-9,12,19H,10-11H2,1-3H3
InChIKeyOATZBCJRZYTJNB-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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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylanilino)-1-(4-methylphenyl)propan-1-one?
The IUPAC name of 3-(3,4-dimethylanilino)-1-(4-methylphenyl)propan-1-one (CID 4563863) is 3-(3,4-dimethylanilino)-1-(4-methylphenyl)propan-1-one.
What is the SMILES notation for 3-(3,4-dimethylanilino)-1-(4-methylphenyl)propan-1-one?
The canonical SMILES for 3-(3,4-dimethylanilino)-1-(4-methylphenyl)propan-1-one is Cc1ccc(C(=O)CCNc2ccc(C)c(C)c2)cc1.
What is the InChIKey of 3-(3,4-dimethylanilino)-1-(4-methylphenyl)propan-1-one?
The InChIKey is OATZBCJRZYTJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-13-4-7-16(8-5-13)18(20)10-11-19-17-9-6-14(2)15(3)12-17/h4-9,12,19H,10-11H2,1-3H3.
What are the key properties of 3-(3,4-dimethylanilino)-1-(4-methylphenyl)propan-1-one?
3-(3,4-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-(3,4-dimethylanilino)-1-(4-methylphenyl)propan-1-one is sourced from PubChem (CID 4563863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).