4-methyl-N,N-bis(4-nitrophenyl)aniline

C19H15N3O4 — CID 20654618

IUPAC4-methyl-N,N-bis(4-nitrophenyl)aniline
SMILESCc1ccc(N(c2ccc([N+](=O)[O-])cc2)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C19H15N3O4/c1-14-2-4-15(5-3-14)20(16-6-10-18(11-7-16)21(23)24)17-8-12-19(13-9-17)22(25)26/h2-13H,1H3
InChIKeyRQYDQSYNPQNUKG-UHFFFAOYSA-N
MW349.35 g/mol
LogP5.28
Rot. Bonds5

About 4-methyl-N,N-bis(4-nitrophenyl)aniline

4-methyl-N,N-bis(4-nitrophenyl)aniline (PubChem CID 20654618) has the molecular formula C19H15N3O4 and a molecular weight of 349.35 g/mol. Its IUPAC name is 4-methyl-N,N-bis(4-nitrophenyl)aniline.

Molecular Properties

Compound Name4-methyl-N,N-bis(4-nitrophenyl)aniline
PubChem CID20654618
Molecular FormulaC19H15N3O4
Molecular Weight349.35 g/mol
Exact Mass349.11
IUPAC Name4-methyl-N,N-bis(4-nitrophenyl)aniline
SMILESCc1ccc(N(c2ccc([N+](=O)[O-])cc2)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C19H15N3O4/c1-14-2-4-15(5-3-14)20(16-6-10-18(11-7-16)21(23)24)17-8-12-19(13-9-17)22(25)26/h2-13H,1H3
InChIKeyRQYDQSYNPQNUKG-UHFFFAOYSA-N
XLogP5.28
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.35
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-methyl-N,N-bis(4-nitrophenyl)aniline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N,N-bis(4-nitrophenyl)aniline?
The IUPAC name of 4-methyl-N,N-bis(4-nitrophenyl)aniline (CID 20654618) is 4-methyl-N,N-bis(4-nitrophenyl)aniline.
What is the SMILES notation for 4-methyl-N,N-bis(4-nitrophenyl)aniline?
The canonical SMILES for 4-methyl-N,N-bis(4-nitrophenyl)aniline is Cc1ccc(N(c2ccc([N+](=O)[O-])cc2)c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 4-methyl-N,N-bis(4-nitrophenyl)aniline?
The InChIKey is RQYDQSYNPQNUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O4/c1-14-2-4-15(5-3-14)20(16-6-10-18(11-7-16)21(23)24)17-8-12-19(13-9-17)22(25)26/h2-13H,1H3.
What are the key properties of 4-methyl-N,N-bis(4-nitrophenyl)aniline?
4-methyl-N,N-bis(4-nitrophenyl)aniline has a molecular weight of 349.35 g/mol, XLogP of 5.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N,N-bis(4-nitrophenyl)aniline is sourced from PubChem (CID 20654618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).