1-(3-amino-4-methylphenyl)-2-(3,5-dimethylphenyl)ethanone

C17H19NO — CID 116550862

IUPAC1-(3-amino-4-methylphenyl)-2-(3,5-dimethylphenyl)ethanone
SMILESCc1cc(C)cc(CC(=O)c2ccc(C)c(N)c2)c1
InChIInChI=1S/C17H19NO/c1-11-6-12(2)8-14(7-11)9-17(19)15-5-4-13(3)16(18)10-15/h4-8,10H,9,18H2,1-3H3
InChIKeyWAEFEQQQLNCILS-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.62
Rot. Bonds3

About 1-(3-amino-4-methylphenyl)-2-(3,5-dimethylphenyl)ethanone

1-(3-amino-4-methylphenyl)-2-(3,5-dimethylphenyl)ethanone (PubChem CID 116550862) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-(3-amino-4-methylphenyl)-2-(3,5-dimethylphenyl)ethanone.

Molecular Properties

Compound Name1-(3-amino-4-methylphenyl)-2-(3,5-dimethylphenyl)ethanone
PubChem CID116550862
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name1-(3-amino-4-methylphenyl)-2-(3,5-dimethylphenyl)ethanone
SMILESCc1cc(C)cc(CC(=O)c2ccc(C)c(N)c2)c1
InChIInChI=1S/C17H19NO/c1-11-6-12(2)8-14(7-11)9-17(19)15-5-4-13(3)16(18)10-15/h4-8,10H,9,18H2,1-3H3
InChIKeyWAEFEQQQLNCILS-UHFFFAOYSA-N
XLogP3.62
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(3-amino-4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 116550965
2-(3,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone
CID 63409718
1-(3-amino-4-methylphenyl)-2-(2,6-dichlorophenyl)ethanone
CID 116550897
1-[4-(aminomethyl)phenyl]-2-(3,5-dimethylphenyl)ethanone
CID 116548140
1-(3-amino-4-methylphenyl)-2-(3-chloro-4-fluorophenyl)ethanone
CID 103042493
1-(3-amino-4-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 116551055
1-(3-amino-4-methylphenyl)-2-(5-chloro-2-fluorophenyl)ethanone
CID 103052274
2-(4-aminophenyl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 107129670
1-(3-bromo-4-chlorophenyl)-2-(3,5-dimethylphenyl)ethanone
CID 115565854
2-(3,5-dimethylphenyl)-1-pyridin-4-ylethanone
CID 22993741
2-(3,5-dimethylphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone
CID 116609213
1-(3-amino-4-methylphenyl)-3-[benzyl(methyl)amino]propan-1-one
CID 82136060

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-methylphenyl)-2-(3,5-dimethylphenyl)ethanone?
The IUPAC name of 1-(3-amino-4-methylphenyl)-2-(3,5-dimethylphenyl)ethanone (CID 116550862) is 1-(3-amino-4-methylphenyl)-2-(3,5-dimethylphenyl)ethanone.
What is the SMILES notation for 1-(3-amino-4-methylphenyl)-2-(3,5-dimethylphenyl)ethanone?
The canonical SMILES for 1-(3-amino-4-methylphenyl)-2-(3,5-dimethylphenyl)ethanone is Cc1cc(C)cc(CC(=O)c2ccc(C)c(N)c2)c1.
What is the InChIKey of 1-(3-amino-4-methylphenyl)-2-(3,5-dimethylphenyl)ethanone?
The InChIKey is WAEFEQQQLNCILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-11-6-12(2)8-14(7-11)9-17(19)15-5-4-13(3)16(18)10-15/h4-8,10H,9,18H2,1-3H3.
What are the key properties of 1-(3-amino-4-methylphenyl)-2-(3,5-dimethylphenyl)ethanone?
1-(3-amino-4-methylphenyl)-2-(3,5-dimethylphenyl)ethanone has a molecular weight of 253.34 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-methylphenyl)-2-(3,5-dimethylphenyl)ethanone is sourced from PubChem (CID 116550862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).