1-(2-amino-3-methylphenyl)-2-phenylethanone

C15H15NO — CID 68579137

IUPAC1-(2-amino-3-methylphenyl)-2-phenylethanone
SMILESCc1cccc(C(=O)Cc2ccccc2)c1N
InChIInChI=1S/C15H15NO/c1-11-6-5-9-13(15(11)16)14(17)10-12-7-3-2-4-8-12/h2-9H,10,16H2,1H3
InChIKeyKOFFNANSCHZAFF-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.00
Rot. Bonds3

About 1-(2-amino-3-methylphenyl)-2-phenylethanone

1-(2-amino-3-methylphenyl)-2-phenylethanone (PubChem CID 68579137) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-(2-amino-3-methylphenyl)-2-phenylethanone.

Molecular Properties

Compound Name1-(2-amino-3-methylphenyl)-2-phenylethanone
PubChem CID68579137
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name1-(2-amino-3-methylphenyl)-2-phenylethanone
SMILESCc1cccc(C(=O)Cc2ccccc2)c1N
InChIInChI=1S/C15H15NO/c1-11-6-5-9-13(15(11)16)14(17)10-12-7-3-2-4-8-12/h2-9H,10,16H2,1H3
InChIKeyKOFFNANSCHZAFF-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

3-(2-amino-3-methylphenyl)-3-oxopropanoic acid
CID 105446835
2-amino-3-methylbenzoic acid;azane
CID 69400013
2-(4-chlorophenyl)-1-(2-methylphenyl)ethanone
CID 60798390
1-(2,3-difluoro-4-methylphenyl)-2-phenylethanone
CID 107512541
2-(3-chlorophenyl)-1-(2-methylphenyl)ethanone
CID 60799246
1-[2-(1-aminoethyl)phenyl]-2-phenylethanone
CID 68934051
1-[4-methyl-2-(2-phenylacetyl)phenyl]-2-phenylethanone
CID 141249588
1-(2-aminophenyl)-2-(2-methylphenyl)ethanone
CID 64832569
2-(3,5-dimethylphenyl)-1-(2-methylphenyl)ethanone
CID 54911077
2-amino-3-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 30117627
N-tert-butyl-2-(2-phenylacetyl)benzamide
CID 15197823
(3-methylphenyl)methyl 2-amino-3-methylbenzoate
CID 60730677

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-methylphenyl)-2-phenylethanone?
The IUPAC name of 1-(2-amino-3-methylphenyl)-2-phenylethanone (CID 68579137) is 1-(2-amino-3-methylphenyl)-2-phenylethanone.
What is the SMILES notation for 1-(2-amino-3-methylphenyl)-2-phenylethanone?
The canonical SMILES for 1-(2-amino-3-methylphenyl)-2-phenylethanone is Cc1cccc(C(=O)Cc2ccccc2)c1N.
What is the InChIKey of 1-(2-amino-3-methylphenyl)-2-phenylethanone?
The InChIKey is KOFFNANSCHZAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c1-11-6-5-9-13(15(11)16)14(17)10-12-7-3-2-4-8-12/h2-9H,10,16H2,1H3.
What are the key properties of 1-(2-amino-3-methylphenyl)-2-phenylethanone?
1-(2-amino-3-methylphenyl)-2-phenylethanone 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 1-(2-amino-3-methylphenyl)-2-phenylethanone is sourced from PubChem (CID 68579137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).