(4-amino-3-methylphenyl)-(4-aminophenyl)methanone

C14H14N2O — CID 14420048

IUPAC(4-amino-3-methylphenyl)-(4-aminophenyl)methanone
SMILESCc1cc(C(=O)c2ccc(N)cc2)ccc1N
InChIInChI=1S/C14H14N2O/c1-9-8-11(4-7-13(9)16)14(17)10-2-5-12(15)6-3-10/h2-8H,15-16H2,1H3
InChIKeyXRZMGJWFKZYOTE-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.39
Rot. Bonds2

About (4-amino-3-methylphenyl)-(4-aminophenyl)methanone

(4-amino-3-methylphenyl)-(4-aminophenyl)methanone (PubChem CID 14420048) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is (4-amino-3-methylphenyl)-(4-aminophenyl)methanone.

Molecular Properties

Compound Name(4-amino-3-methylphenyl)-(4-aminophenyl)methanone
PubChem CID14420048
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name(4-amino-3-methylphenyl)-(4-aminophenyl)methanone
SMILESCc1cc(C(=O)c2ccc(N)cc2)ccc1N
InChIInChI=1S/C14H14N2O/c1-9-8-11(4-7-13(9)16)14(17)10-2-5-12(15)6-3-10/h2-8H,15-16H2,1H3
InChIKeyXRZMGJWFKZYOTE-UHFFFAOYSA-N
XLogP2.39
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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)-(4-aminophenyl)methanone?
The IUPAC name of (4-amino-3-methylphenyl)-(4-aminophenyl)methanone (CID 14420048) is (4-amino-3-methylphenyl)-(4-aminophenyl)methanone.
What is the SMILES notation for (4-amino-3-methylphenyl)-(4-aminophenyl)methanone?
The canonical SMILES for (4-amino-3-methylphenyl)-(4-aminophenyl)methanone is Cc1cc(C(=O)c2ccc(N)cc2)ccc1N.
What is the InChIKey of (4-amino-3-methylphenyl)-(4-aminophenyl)methanone?
The InChIKey is XRZMGJWFKZYOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-9-8-11(4-7-13(9)16)14(17)10-2-5-12(15)6-3-10/h2-8H,15-16H2,1H3.
What are the key properties of (4-amino-3-methylphenyl)-(4-aminophenyl)methanone?
(4-amino-3-methylphenyl)-(4-aminophenyl)methanone has a molecular weight of 226.28 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methylphenyl)-(4-aminophenyl)methanone is sourced from PubChem (CID 14420048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).