4-nitro-N-phenyl-2-propylaniline

C15H16N2O2 — CID 20559831

IUPAC4-nitro-N-phenyl-2-propylaniline
SMILESCCCc1cc([N+](=O)[O-])ccc1Nc1ccccc1
InChIInChI=1S/C15H16N2O2/c1-2-6-12-11-14(17(18)19)9-10-15(12)16-13-7-4-3-5-8-13/h3-5,7-11,16H,2,6H2,1H3
InChIKeyKENIRRGYMUKEEM-UHFFFAOYSA-N
MW256.31 g/mol
LogP4.29
Rot. Bonds5

About 4-nitro-N-phenyl-2-propylaniline

4-nitro-N-phenyl-2-propylaniline (PubChem CID 20559831) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 4-nitro-N-phenyl-2-propylaniline.

Molecular Properties

Compound Name4-nitro-N-phenyl-2-propylaniline
PubChem CID20559831
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name4-nitro-N-phenyl-2-propylaniline
SMILESCCCc1cc([N+](=O)[O-])ccc1Nc1ccccc1
InChIInChI=1S/C15H16N2O2/c1-2-6-12-11-14(17(18)19)9-10-15(12)16-13-7-4-3-5-8-13/h3-5,7-11,16H,2,6H2,1H3
InChIKeyKENIRRGYMUKEEM-UHFFFAOYSA-N
XLogP4.29
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-nitro-1-N-(2-propylphenyl)benzene-1,2-diamine
CID 62507468
5-nitro-N-phenyl-2-propylbenzenesulfonamide
CID 71431777
4-nitro-2-propylaniline
CID 21492038
2-(2-anilino-5-nitroanilino)-N-(2,6-diethylphenyl)acetamide
CID 9106654
1-(2-hydroxy-4-nitrophenyl)-3-(2-propylphenyl)urea
CID 46196416
(4-nitro-2-propylphenyl)methanamine
CID 152751762
N-(2-anilino-5-nitrophenyl)-2-methylsulfonylbenzenesulfonamide
CID 25374489
2-(4-nitro-2-propylphenyl)ethanamine
CID 152751761
2-[2-(2-fluoro-5-nitroanilino)phenyl]acetic acid
CID 18546325
4-nitro-2-propylbenzoyl bromide
CID 22920954
[4-(2-methyl-4-nitroanilino)phenyl]-phenylmethanone
CID 18358129
1-cyclopropylsulfonyl-4-nitro-2-propylbenzene
CID 118098678

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-phenyl-2-propylaniline?
The IUPAC name of 4-nitro-N-phenyl-2-propylaniline (CID 20559831) is 4-nitro-N-phenyl-2-propylaniline.
What is the SMILES notation for 4-nitro-N-phenyl-2-propylaniline?
The canonical SMILES for 4-nitro-N-phenyl-2-propylaniline is CCCc1cc([N+](=O)[O-])ccc1Nc1ccccc1.
What is the InChIKey of 4-nitro-N-phenyl-2-propylaniline?
The InChIKey is KENIRRGYMUKEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-2-6-12-11-14(17(18)19)9-10-15(12)16-13-7-4-3-5-8-13/h3-5,7-11,16H,2,6H2,1H3.
What are the key properties of 4-nitro-N-phenyl-2-propylaniline?
4-nitro-N-phenyl-2-propylaniline has a molecular weight of 256.31 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-phenyl-2-propylaniline is sourced from PubChem (CID 20559831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).