(4-nitrophenyl)methanamine

C7H8N2O2 — CID 29147

IUPAC(4-nitrophenyl)methanamine
SMILESNCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C7H8N2O2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H,5,8H2
InChIKeyODVBBZFQPGORMJ-UHFFFAOYSA-N
MW152.15 g/mol
LogP1.05
Rot. Bonds2

About (4-nitrophenyl)methanamine

(4-nitrophenyl)methanamine (PubChem CID 29147) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is (4-nitrophenyl)methanamine.

Molecular Properties

Compound Name(4-nitrophenyl)methanamine
PubChem CID29147
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name(4-nitrophenyl)methanamine
SMILESNCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C7H8N2O2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H,5,8H2
InChIKeyODVBBZFQPGORMJ-UHFFFAOYSA-N
XLogP1.05
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 51.05
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

2-Nitrotoluene
CID 6944
4-Nitro-1,1'-biphenyl
CID 7114
2-Amino-4,6-Dinitrotoluene
CID 37182
3-Nitrotoluene
CID 7422
4-Nitrotoluene
CID 7473
4-Amino-2,6-Dinitrotoluene
CID 29574
2,4-Dinitrotoluene
CID 8461
2-Methyl-5-Nitroaniline
CID 7444
4-Nitrobenzyl bromide
CID 66011
4-Nitrobenzyl chloride
CID 7482
4-Nitro-o-xylene
CID 7440
4-Methyl-3-nitroaniline
CID 8390

Frequently Asked Questions

What is the IUPAC name of (4-nitrophenyl)methanamine?
The IUPAC name of (4-nitrophenyl)methanamine (CID 29147) is (4-nitrophenyl)methanamine.
What is the SMILES notation for (4-nitrophenyl)methanamine?
The canonical SMILES for (4-nitrophenyl)methanamine is NCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (4-nitrophenyl)methanamine?
The InChIKey is ODVBBZFQPGORMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H,5,8H2.
What are the key properties of (4-nitrophenyl)methanamine?
(4-nitrophenyl)methanamine has a molecular weight of 152.15 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrophenyl)methanamine is sourced from PubChem (CID 29147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).