2-(3-aminophenyl)-1-(4-methylphenyl)ethanone

C15H15NO — CID 116577086

IUPAC2-(3-aminophenyl)-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)Cc2cccc(N)c2)cc1
InChIInChI=1S/C15H15NO/c1-11-5-7-13(8-6-11)15(17)10-12-3-2-4-14(16)9-12/h2-9H,10,16H2,1H3
InChIKeyRZWSWJIQRAQLEM-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.00
Rot. Bonds3

About 2-(3-aminophenyl)-1-(4-methylphenyl)ethanone

2-(3-aminophenyl)-1-(4-methylphenyl)ethanone (PubChem CID 116577086) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-(3-aminophenyl)-1-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(3-aminophenyl)-1-(4-methylphenyl)ethanone
PubChem CID116577086
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name2-(3-aminophenyl)-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)Cc2cccc(N)c2)cc1
InChIInChI=1S/C15H15NO/c1-11-5-7-13(8-6-11)15(17)10-12-3-2-4-14(16)9-12/h2-9H,10,16H2,1H3
InChIKeyRZWSWJIQRAQLEM-UHFFFAOYSA-N
XLogP3.00
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.00
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

2-(3-aminophenyl)-1-(3-methylphenyl)ethanone
CID 116577163
2-(3-aminophenyl)-1-(3,4-dichlorophenyl)ethanone
CID 116577263
1-(4-aminophenyl)-2-(3-ethylphenyl)ethanone
CID 145137621
2-(3-aminophenyl)-1-(4-cyclopropyloxyphenyl)ethanone
CID 114520628
1-[4-(aminomethyl)phenyl]-2-(4-methylphenyl)ethanone;hydrochloride
CID 118703223
1-[4-(aminomethyl)phenyl]-2-(3,5-dimethylphenyl)ethanone
CID 116548140
3-(3-methylphenyl)-1-(4-methylphenyl)propan-1-one
CID 24725664
1-(3-aminophenyl)-2-(2,5-dimethylphenyl)ethanone
CID 116548661
2-(3-aminophenyl)acetic acid;propanoic acid
CID 175479045
2-(3-aminophenyl)-N-(5-methyl-2-pyridinyl)acetamide
CID 62500128
2-(3-aminophenyl)acetic acid;ethyl 4-aminobenzoate
CID 70629829
S-ethyl 2-(3-aminophenyl)ethanethioate
CID 21201588

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-1-(4-methylphenyl)ethanone?
The IUPAC name of 2-(3-aminophenyl)-1-(4-methylphenyl)ethanone (CID 116577086) is 2-(3-aminophenyl)-1-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-(3-aminophenyl)-1-(4-methylphenyl)ethanone?
The canonical SMILES for 2-(3-aminophenyl)-1-(4-methylphenyl)ethanone is Cc1ccc(C(=O)Cc2cccc(N)c2)cc1.
What is the InChIKey of 2-(3-aminophenyl)-1-(4-methylphenyl)ethanone?
The InChIKey is RZWSWJIQRAQLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c1-11-5-7-13(8-6-11)15(17)10-12-3-2-4-14(16)9-12/h2-9H,10,16H2,1H3.
What are the key properties of 2-(3-aminophenyl)-1-(4-methylphenyl)ethanone?
2-(3-aminophenyl)-1-(4-methylphenyl)ethanone has a molecular weight of 225.29 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-1-(4-methylphenyl)ethanone is sourced from PubChem (CID 116577086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).