(4-amino-3-methylphenyl)-phenylmethanone

C14H13NO — CID 21052

IUPAC(4-amino-3-methylphenyl)-phenylmethanone
SMILESCc1cc(C(=O)c2ccccc2)ccc1N
InChIInChI=1S/C14H13NO/c1-10-9-12(7-8-13(10)15)14(16)11-5-3-2-4-6-11/h2-9H,15H2,1H3
InChIKeyZCVUMNJAVAXADT-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.81
Rot. Bonds2

About (4-amino-3-methylphenyl)-phenylmethanone

(4-amino-3-methylphenyl)-phenylmethanone (PubChem CID 21052) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is (4-amino-3-methylphenyl)-phenylmethanone.

Molecular Properties

Compound Name(4-amino-3-methylphenyl)-phenylmethanone
PubChem CID21052
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Name(4-amino-3-methylphenyl)-phenylmethanone
SMILESCc1cc(C(=O)c2ccccc2)ccc1N
InChIInChI=1S/C14H13NO/c1-10-9-12(7-8-13(10)15)14(16)11-5-3-2-4-6-11/h2-9H,15H2,1H3
InChIKeyZCVUMNJAVAXADT-UHFFFAOYSA-N
XLogP2.81
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.81
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 (4-amino-3-methylphenyl)-phenylmethanone?
The IUPAC name of (4-amino-3-methylphenyl)-phenylmethanone (CID 21052) is (4-amino-3-methylphenyl)-phenylmethanone.
What is the SMILES notation for (4-amino-3-methylphenyl)-phenylmethanone?
The canonical SMILES for (4-amino-3-methylphenyl)-phenylmethanone is Cc1cc(C(=O)c2ccccc2)ccc1N.
What is the InChIKey of (4-amino-3-methylphenyl)-phenylmethanone?
The InChIKey is ZCVUMNJAVAXADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO/c1-10-9-12(7-8-13(10)15)14(16)11-5-3-2-4-6-11/h2-9H,15H2,1H3.
What are the key properties of (4-amino-3-methylphenyl)-phenylmethanone?
(4-amino-3-methylphenyl)-phenylmethanone has a molecular weight of 211.26 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methylphenyl)-phenylmethanone is sourced from PubChem (CID 21052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).