4-nitro-1-N-(2-propylphenyl)benzene-1,2-diamine

C15H17N3O2 — CID 62507468

IUPAC4-nitro-1-N-(2-propylphenyl)benzene-1,2-diamine
SMILESCCCc1ccccc1Nc1ccc([N+](=O)[O-])cc1N
InChIInChI=1S/C15H17N3O2/c1-2-5-11-6-3-4-7-14(11)17-15-9-8-12(18(19)20)10-13(15)16/h3-4,6-10,17H,2,5,16H2,1H3
InChIKeyZRDPMRQEECFFMJ-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.87
Rot. Bonds5

About 4-nitro-1-N-(2-propylphenyl)benzene-1,2-diamine

4-nitro-1-N-(2-propylphenyl)benzene-1,2-diamine (PubChem CID 62507468) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-nitro-1-N-(2-propylphenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-nitro-1-N-(2-propylphenyl)benzene-1,2-diamine
PubChem CID62507468
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name4-nitro-1-N-(2-propylphenyl)benzene-1,2-diamine
SMILESCCCc1ccccc1Nc1ccc([N+](=O)[O-])cc1N
InChIInChI=1S/C15H17N3O2/c1-2-5-11-6-3-4-7-14(11)17-15-9-8-12(18(19)20)10-13(15)16/h3-4,6-10,17H,2,5,16H2,1H3
InChIKeyZRDPMRQEECFFMJ-UHFFFAOYSA-N
XLogP3.87
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-nitro-N-phenyl-2-propylaniline
CID 20559831
1-N-(2-fluorophenyl)-4-nitrobenzene-1,2-diamine
CID 55079927
2-(2-amino-4-nitroanilino)benzonitrile
CID 62506951
4-nitro-2-propylaniline
CID 21492038
1-(2-hydroxy-4-nitrophenyl)-3-(2-propylphenyl)urea
CID 46196416
1-N-butyl-4-nitrobenzene-1,2-diamine
CID 15327518
2-(2-amino-4-nitroanilino)-6-methylbenzonitrile
CID 107802726
4,5-dimethoxy-2-N-(2-propylphenyl)benzene-1,2-diamine
CID 83004444
1-N-(4-methoxyphenyl)-4-nitrobenzene-1,2-diamine
CID 12643556
1-N-(4-tert-butylphenyl)-4-nitrobenzene-1,2-diamine
CID 62507780
2-(4-nitrophenyl)-N-(2-propylphenyl)acetamide
CID 31868499
1-N-(4-fluoro-2-methylphenyl)-4-nitrobenzene-1,2-diamine
CID 55079971

Frequently Asked Questions

What is the IUPAC name of 4-nitro-1-N-(2-propylphenyl)benzene-1,2-diamine?
The IUPAC name of 4-nitro-1-N-(2-propylphenyl)benzene-1,2-diamine (CID 62507468) is 4-nitro-1-N-(2-propylphenyl)benzene-1,2-diamine.
What is the SMILES notation for 4-nitro-1-N-(2-propylphenyl)benzene-1,2-diamine?
The canonical SMILES for 4-nitro-1-N-(2-propylphenyl)benzene-1,2-diamine is CCCc1ccccc1Nc1ccc([N+](=O)[O-])cc1N.
What is the InChIKey of 4-nitro-1-N-(2-propylphenyl)benzene-1,2-diamine?
The InChIKey is ZRDPMRQEECFFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-2-5-11-6-3-4-7-14(11)17-15-9-8-12(18(19)20)10-13(15)16/h3-4,6-10,17H,2,5,16H2,1H3.
What are the key properties of 4-nitro-1-N-(2-propylphenyl)benzene-1,2-diamine?
4-nitro-1-N-(2-propylphenyl)benzene-1,2-diamine has a molecular weight of 271.32 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-1-N-(2-propylphenyl)benzene-1,2-diamine is sourced from PubChem (CID 62507468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).