4-nitro-2-(1-phosphanylpropyl)aniline

C9H13N2O2P — CID 142027956

IUPAC4-nitro-2-(1-phosphanylpropyl)aniline
SMILESCCC(P)c1cc([N+](=O)[O-])ccc1N
InChIInChI=1S/C9H13N2O2P/c1-2-9(14)7-5-6(11(12)13)3-4-8(7)10/h3-5,9H,2,10,14H2,1H3
InChIKeyBVJKJBJEQBYLAO-UHFFFAOYSA-N
MW212.19 g/mol
LogP2.50
Rot. Bonds3

About 4-nitro-2-(1-phosphanylpropyl)aniline

4-nitro-2-(1-phosphanylpropyl)aniline (PubChem CID 142027956) has the molecular formula C9H13N2O2P and a molecular weight of 212.19 g/mol. Its IUPAC name is 4-nitro-2-(1-phosphanylpropyl)aniline.

Molecular Properties

Compound Name4-nitro-2-(1-phosphanylpropyl)aniline
PubChem CID142027956
Molecular FormulaC9H13N2O2P
Molecular Weight212.19 g/mol
Exact Mass212.07
IUPAC Name4-nitro-2-(1-phosphanylpropyl)aniline
SMILESCCC(P)c1cc([N+](=O)[O-])ccc1N
InChIInChI=1S/C9H13N2O2P/c1-2-9(14)7-5-6(11(12)13)3-4-8(7)10/h3-5,9H,2,10,14H2,1H3
InChIKeyBVJKJBJEQBYLAO-UHFFFAOYSA-N
XLogP2.50
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.19
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-(2-amino-5-nitrophenyl)ethane-1,2-diol
CID 11321550
4-nitro-2-propylaniline
CID 21492038
1-(2-amino-5-nitrophenyl)butane-1,2,4-triol
CID 171872682
4-amino-1-(2-amino-5-nitrophenyl)butane-1,2-diol
CID 171881639
1-(2-methoxy-5-nitrophenyl)propan-1-amine
CID 43825597
2-amino-4-nitrophenol;ethanol
CID 174857010
pentan-3-yl 2-amino-5-nitrobenzoate
CID 91727772
2-amino-N-methyl-N-(2-methylpropyl)-5-nitrobenzamide
CID 62155970
2-amino-N-ethyl-4-nitrobenzamide
CID 71534016
2-butylsulfanyl-5-nitroaniline
CID 62508477
1-methyl-2-[2-(2-methyl-5-nitrophenyl)ethyl]-4-nitrobenzene
CID 22217045
2-amino-N-methyl-N-(2-methylbutyl)-4-nitrobenzenesulfonamide
CID 62143776

Frequently Asked Questions

What is the IUPAC name of 4-nitro-2-(1-phosphanylpropyl)aniline?
The IUPAC name of 4-nitro-2-(1-phosphanylpropyl)aniline (CID 142027956) is 4-nitro-2-(1-phosphanylpropyl)aniline.
What is the SMILES notation for 4-nitro-2-(1-phosphanylpropyl)aniline?
The canonical SMILES for 4-nitro-2-(1-phosphanylpropyl)aniline is CCC(P)c1cc([N+](=O)[O-])ccc1N.
What is the InChIKey of 4-nitro-2-(1-phosphanylpropyl)aniline?
The InChIKey is BVJKJBJEQBYLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N2O2P/c1-2-9(14)7-5-6(11(12)13)3-4-8(7)10/h3-5,9H,2,10,14H2,1H3.
What are the key properties of 4-nitro-2-(1-phosphanylpropyl)aniline?
4-nitro-2-(1-phosphanylpropyl)aniline has a molecular weight of 212.19 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-2-(1-phosphanylpropyl)aniline is sourced from PubChem (CID 142027956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).