(3-amino-2-methylphenyl)-(4-amino-2-methylphenyl)methanone

C15H16N2O — CID 118105017

IUPAC(3-amino-2-methylphenyl)-(4-amino-2-methylphenyl)methanone
SMILESCc1cc(N)ccc1C(=O)c1cccc(N)c1C
InChIInChI=1S/C15H16N2O/c1-9-8-11(16)6-7-12(9)15(18)13-4-3-5-14(17)10(13)2/h3-8H,16-17H2,1-2H3
InChIKeyRUAGKEWADZDGBU-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.70
Rot. Bonds2

About (3-amino-2-methylphenyl)-(4-amino-2-methylphenyl)methanone

(3-amino-2-methylphenyl)-(4-amino-2-methylphenyl)methanone (PubChem CID 118105017) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is (3-amino-2-methylphenyl)-(4-amino-2-methylphenyl)methanone.

Molecular Properties

Compound Name(3-amino-2-methylphenyl)-(4-amino-2-methylphenyl)methanone
PubChem CID118105017
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name(3-amino-2-methylphenyl)-(4-amino-2-methylphenyl)methanone
SMILESCc1cc(N)ccc1C(=O)c1cccc(N)c1C
InChIInChI=1S/C15H16N2O/c1-9-8-11(16)6-7-12(9)15(18)13-4-3-5-14(17)10(13)2/h3-8H,16-17H2,1-2H3
InChIKeyRUAGKEWADZDGBU-UHFFFAOYSA-N
XLogP2.70
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3-amino-2-methylphenyl)-(4-amino-2-methylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-amino-2-methylphenyl)-(2,4-diaminophenyl)methanone
CID 163468215
(3-amino-2-methylphenyl)-(2-methoxy-4,5-dimethylphenyl)methanone
CID 82092906
(5-amino-2-bromophenyl)-(2,3-dimethylphenyl)methanone
CID 116602810
(3-amino-2-methylphenyl)-(2-methoxyphenyl)methanone
CID 82044477
(4-amino-2-bromophenyl)-(3-chloro-2-methylphenyl)methanone
CID 107100346
(2,3-dimethylphenyl)-(4-fluoro-2-methylphenyl)methanone
CID 79020544
(4-amino-2-methylphenyl)-(3,5-dibromophenyl)methanone
CID 107981120
1-(3-amino-2-methylphenyl)-2-methylprop-2-en-1-one
CID 116604333
(4-amino-2-chlorophenyl)-(4-fluoro-2-methylphenyl)methanone
CID 18618724
(5-amino-2-methoxyphenyl)-(2-methylphenyl)methanone
CID 82084658
(5-amino-2-methylphenyl)-[2-methyl-4-(2,3,4,5,6-pentamethylanilino)phenyl]methanone
CID 58659577
1-(3-amino-2-methylphenyl)-2-(3,4-dimethylphenyl)ethanone
CID 116604407

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-methylphenyl)-(4-amino-2-methylphenyl)methanone?
The IUPAC name of (3-amino-2-methylphenyl)-(4-amino-2-methylphenyl)methanone (CID 118105017) is (3-amino-2-methylphenyl)-(4-amino-2-methylphenyl)methanone.
What is the SMILES notation for (3-amino-2-methylphenyl)-(4-amino-2-methylphenyl)methanone?
The canonical SMILES for (3-amino-2-methylphenyl)-(4-amino-2-methylphenyl)methanone is Cc1cc(N)ccc1C(=O)c1cccc(N)c1C.
What is the InChIKey of (3-amino-2-methylphenyl)-(4-amino-2-methylphenyl)methanone?
The InChIKey is RUAGKEWADZDGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-9-8-11(16)6-7-12(9)15(18)13-4-3-5-14(17)10(13)2/h3-8H,16-17H2,1-2H3.
What are the key properties of (3-amino-2-methylphenyl)-(4-amino-2-methylphenyl)methanone?
(3-amino-2-methylphenyl)-(4-amino-2-methylphenyl)methanone has a molecular weight of 240.31 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-methylphenyl)-(4-amino-2-methylphenyl)methanone is sourced from PubChem (CID 118105017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).