[4-(2-aminoanilino)phenyl]-(2-methylphenyl)methanone

C20H18N2O — CID 11324104

IUPAC[4-(2-aminoanilino)phenyl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)c1ccc(Nc2ccccc2N)cc1
InChIInChI=1S/C20H18N2O/c1-14-6-2-3-7-17(14)20(23)15-10-12-16(13-11-15)22-19-9-5-4-8-18(19)21/h2-13,22H,21H2,1H3
InChIKeySIOLNXSDRQRYLQ-UHFFFAOYSA-N
MW302.38 g/mol
LogP4.55
Rot. Bonds4

About [4-(2-aminoanilino)phenyl]-(2-methylphenyl)methanone

[4-(2-aminoanilino)phenyl]-(2-methylphenyl)methanone (PubChem CID 11324104) has the molecular formula C20H18N2O and a molecular weight of 302.38 g/mol. Its IUPAC name is [4-(2-aminoanilino)phenyl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(2-aminoanilino)phenyl]-(2-methylphenyl)methanone
PubChem CID11324104
Molecular FormulaC20H18N2O
Molecular Weight302.38 g/mol
Exact Mass302.14
IUPAC Name[4-(2-aminoanilino)phenyl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)c1ccc(Nc2ccccc2N)cc1
InChIInChI=1S/C20H18N2O/c1-14-6-2-3-7-17(14)20(23)15-10-12-16(13-11-15)22-19-9-5-4-8-18(19)21/h2-13,22H,21H2,1H3
InChIKeySIOLNXSDRQRYLQ-UHFFFAOYSA-N
XLogP4.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [4-(2-aminoanilino)phenyl]-(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-(2-aminoanilino)phenyl]-(2-chlorophenyl)methanone
CID 18358121
[2-(2-aminoanilino)phenyl]-phenylmethanone
CID 134442621
1-[4-(2-aminoanilino)phenyl]ethanone
CID 82287828
methyl 4-(2-aminoanilino)benzoate
CID 68667054
(2-methylphenyl)-(4-methylphenyl)methanone
CID 6613295
ethyl 2-(2-aminoanilino)benzoate
CID 131846844
[4-(2-amino-5-bromoanilino)-2-chlorophenyl]-(2-methylphenyl)methanone
CID 22480519
N-[[4-(2-aminoanilino)phenyl]-phenylmethylidene]hydroxylamine
CID 86204337
[4-(2-aminoanilino)-3-(dimethylamino)phenyl]-phenylmethanone
CID 174393841
(2-methylphenyl)-pyridin-4-ylmethanone
CID 19957162
[2-(2-methylbenzoyl)phenyl]-(2-methylphenyl)methanone
CID 15597717
1-aminopropan-2-one;(2-methylphenyl)-phenylmethanone
CID 143285715

Frequently Asked Questions

What is the IUPAC name of [4-(2-aminoanilino)phenyl]-(2-methylphenyl)methanone?
The IUPAC name of [4-(2-aminoanilino)phenyl]-(2-methylphenyl)methanone (CID 11324104) is [4-(2-aminoanilino)phenyl]-(2-methylphenyl)methanone.
What is the SMILES notation for [4-(2-aminoanilino)phenyl]-(2-methylphenyl)methanone?
The canonical SMILES for [4-(2-aminoanilino)phenyl]-(2-methylphenyl)methanone is Cc1ccccc1C(=O)c1ccc(Nc2ccccc2N)cc1.
What is the InChIKey of [4-(2-aminoanilino)phenyl]-(2-methylphenyl)methanone?
The InChIKey is SIOLNXSDRQRYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O/c1-14-6-2-3-7-17(14)20(23)15-10-12-16(13-11-15)22-19-9-5-4-8-18(19)21/h2-13,22H,21H2,1H3.
What are the key properties of [4-(2-aminoanilino)phenyl]-(2-methylphenyl)methanone?
[4-(2-aminoanilino)phenyl]-(2-methylphenyl)methanone has a molecular weight of 302.38 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-aminoanilino)phenyl]-(2-methylphenyl)methanone is sourced from PubChem (CID 11324104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).