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

C17H19NO — CID 116604407

IUPAC1-(3-amino-2-methylphenyl)-2-(3,4-dimethylphenyl)ethanone
SMILESCc1ccc(CC(=O)c2cccc(N)c2C)cc1C
InChIInChI=1S/C17H19NO/c1-11-7-8-14(9-12(11)2)10-17(19)15-5-4-6-16(18)13(15)3/h4-9H,10,18H2,1-3H3
InChIKeyKETJXBKEXGYJKP-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.62
Rot. Bonds3

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

1-(3-amino-2-methylphenyl)-2-(3,4-dimethylphenyl)ethanone (PubChem CID 116604407) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-(3-amino-2-methylphenyl)-2-(3,4-dimethylphenyl)ethanone.

Molecular Properties

Compound Name1-(3-amino-2-methylphenyl)-2-(3,4-dimethylphenyl)ethanone
PubChem CID116604407
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name1-(3-amino-2-methylphenyl)-2-(3,4-dimethylphenyl)ethanone
SMILESCc1ccc(CC(=O)c2cccc(N)c2C)cc1C
InChIInChI=1S/C17H19NO/c1-11-7-8-14(9-12(11)2)10-17(19)15-5-4-6-16(18)13(15)3/h4-9H,10,18H2,1-3H3
InChIKeyKETJXBKEXGYJKP-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-2-methylphenyl)-2-(3,4-difluorophenyl)ethanone
CID 116604431
1-(3-amino-2-methylphenyl)-2-(3-bromo-4-methoxyphenyl)ethanone
CID 116604463
1-(3-chloro-2-fluorophenyl)-2-(3,4-dimethylphenyl)ethanone
CID 64714143
1-(3-amino-2-methylphenyl)-2-(5-bromo-3-pyridinyl)ethanone
CID 116604481
2-(3,4-dimethylphenyl)-1-(2-methyl-3-pyridinyl)ethanone
CID 105083488
1-(3-amino-2-methylphenyl)-2-methoxyethanone
CID 116604310
1-(3-amino-2-methylphenyl)-3-phenylpropan-1-one
CID 116604350
2-(3,4-dimethylphenyl)-1-(2-methoxy-3-pyridinyl)ethanone
CID 105083502
1-(2,4-dibromophenyl)-2-(3,4-dimethylphenyl)ethanone
CID 114019091
2-(3,4-dimethylphenyl)-1-(2,3,4-trifluorophenyl)ethanone
CID 62963933
1-(2-aminophenyl)-2-(2-methylphenyl)ethanone
CID 64832569
1-(3-amino-2-methylphenyl)-3-methylsulfonylpropan-1-one
CID 116604440

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-methylphenyl)-2-(3,4-dimethylphenyl)ethanone?
The IUPAC name of 1-(3-amino-2-methylphenyl)-2-(3,4-dimethylphenyl)ethanone (CID 116604407) is 1-(3-amino-2-methylphenyl)-2-(3,4-dimethylphenyl)ethanone.
What is the SMILES notation for 1-(3-amino-2-methylphenyl)-2-(3,4-dimethylphenyl)ethanone?
The canonical SMILES for 1-(3-amino-2-methylphenyl)-2-(3,4-dimethylphenyl)ethanone is Cc1ccc(CC(=O)c2cccc(N)c2C)cc1C.
What is the InChIKey of 1-(3-amino-2-methylphenyl)-2-(3,4-dimethylphenyl)ethanone?
The InChIKey is KETJXBKEXGYJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-11-7-8-14(9-12(11)2)10-17(19)15-5-4-6-16(18)13(15)3/h4-9H,10,18H2,1-3H3.
What are the key properties of 1-(3-amino-2-methylphenyl)-2-(3,4-dimethylphenyl)ethanone?
1-(3-amino-2-methylphenyl)-2-(3,4-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-2-methylphenyl)-2-(3,4-dimethylphenyl)ethanone is sourced from PubChem (CID 116604407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).