methanamine;4-nitroaniline

C7H11N3O2 — CID 22708932

IUPACmethanamine;4-nitroaniline
SMILESCN.Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C6H6N2O2.CH5N/c7-5-1-3-6(4-2-5)8(9)10;1-2/h1-4H,7H2;2H2,1H3
InChIKeyOUYCBQQPZPDUIO-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.75
Rot. Bonds1

About methanamine;4-nitroaniline

methanamine;4-nitroaniline (PubChem CID 22708932) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is methanamine;4-nitroaniline.

Molecular Properties

Compound Namemethanamine;4-nitroaniline
PubChem CID22708932
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Namemethanamine;4-nitroaniline
SMILESCN.Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C6H6N2O2.CH5N/c7-5-1-3-6(4-2-5)8(9)10;1-2/h1-4H,7H2;2H2,1H3
InChIKeyOUYCBQQPZPDUIO-UHFFFAOYSA-N
XLogP0.75
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'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

sodium;hydride;4-nitroaniline
CID 174897540
molecular nitrogen;4-nitroaniline;hydrochloride
CID 175091269
iodomethane;4-methylaniline;bis(1-methyl-4-nitrobenzene)
CID 160667909
dihydroxy(oxo)phosphanium;4-nitroaniline
CID 174379615
4-nitroaniline;perchloric acid
CID 86177986
arsoric acid;tris(4-nitroaniline)
CID 175201940
azane;formic acid;4-nitroaniline
CID 175013455
1-nitro-4-[tris(4-nitrophenyl)methyl]benzene;4-[tris(4-aminophenyl)methyl]aniline
CID 162034271
4-[(E)-2-(4-nitrophenyl)ethenyl]aniline
CID 5376981
1-(4-aminophenyl)ethanone;1-(4-nitrophenyl)ethanone
CID 174531319
4-nitroaniline;4-(trifluoromethyl)aniline
CID 175448311
4-amino-N-methylbenzamide;N-methyl-4-nitrobenzamide
CID 91087652

Frequently Asked Questions

What is the IUPAC name of methanamine;4-nitroaniline?
The IUPAC name of methanamine;4-nitroaniline (CID 22708932) is methanamine;4-nitroaniline.
What is the SMILES notation for methanamine;4-nitroaniline?
The canonical SMILES for methanamine;4-nitroaniline is CN.Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of methanamine;4-nitroaniline?
The InChIKey is OUYCBQQPZPDUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2.CH5N/c7-5-1-3-6(4-2-5)8(9)10;1-2/h1-4H,7H2;2H2,1H3.
What are the key properties of methanamine;4-nitroaniline?
methanamine;4-nitroaniline has a molecular weight of 169.18 g/mol, XLogP of 0.75, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;4-nitroaniline is sourced from PubChem (CID 22708932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).