(3-aminophenyl)-(3,4-dimethylphenyl)methanone

C15H15NO — CID 684128

IUPAC(3-aminophenyl)-(3,4-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)c2cccc(N)c2)cc1C
InChIInChI=1S/C15H15NO/c1-10-6-7-13(8-11(10)2)15(17)12-4-3-5-14(16)9-12/h3-9H,16H2,1-2H3
InChIKeyOLVMPYGFMSAMBB-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.12
Rot. Bonds2

About (3-aminophenyl)-(3,4-dimethylphenyl)methanone

(3-aminophenyl)-(3,4-dimethylphenyl)methanone (PubChem CID 684128) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is (3-aminophenyl)-(3,4-dimethylphenyl)methanone.

Molecular Properties

Compound Name(3-aminophenyl)-(3,4-dimethylphenyl)methanone
PubChem CID684128
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name(3-aminophenyl)-(3,4-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)c2cccc(N)c2)cc1C
InChIInChI=1S/C15H15NO/c1-10-6-7-13(8-11(10)2)15(17)12-4-3-5-14(16)9-12/h3-9H,16H2,1-2H3
InChIKeyOLVMPYGFMSAMBB-UHFFFAOYSA-N
XLogP3.12
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)-(3,4-dimethylphenyl)methanone?
The IUPAC name of (3-aminophenyl)-(3,4-dimethylphenyl)methanone (CID 684128) is (3-aminophenyl)-(3,4-dimethylphenyl)methanone.
What is the SMILES notation for (3-aminophenyl)-(3,4-dimethylphenyl)methanone?
The canonical SMILES for (3-aminophenyl)-(3,4-dimethylphenyl)methanone is Cc1ccc(C(=O)c2cccc(N)c2)cc1C.
What is the InChIKey of (3-aminophenyl)-(3,4-dimethylphenyl)methanone?
The InChIKey is OLVMPYGFMSAMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c1-10-6-7-13(8-11(10)2)15(17)12-4-3-5-14(16)9-12/h3-9H,16H2,1-2H3.
What are the key properties of (3-aminophenyl)-(3,4-dimethylphenyl)methanone?
(3-aminophenyl)-(3,4-dimethylphenyl)methanone has a molecular weight of 225.29 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)-(3,4-dimethylphenyl)methanone is sourced from PubChem (CID 684128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).