3-(2-aminoethylamino)-4-nitrophenol

C8H11N3O3 — CID 18984056

IUPAC3-(2-aminoethylamino)-4-nitrophenol
SMILESNCCNc1cc(O)ccc1[N+](=O)[O-]
InChIInChI=1S/C8H11N3O3/c9-3-4-10-7-5-6(12)1-2-8(7)11(13)14/h1-2,5,10,12H,3-4,9H2
InChIKeyXWLGKVZWXHCOBF-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.67
Rot. Bonds4

About 3-(2-aminoethylamino)-4-nitrophenol

3-(2-aminoethylamino)-4-nitrophenol (PubChem CID 18984056) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 3-(2-aminoethylamino)-4-nitrophenol.

Molecular Properties

Compound Name3-(2-aminoethylamino)-4-nitrophenol
PubChem CID18984056
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name3-(2-aminoethylamino)-4-nitrophenol
SMILESNCCNc1cc(O)ccc1[N+](=O)[O-]
InChIInChI=1S/C8H11N3O3/c9-3-4-10-7-5-6(12)1-2-8(7)11(13)14/h1-2,5,10,12H,3-4,9H2
InChIKeyXWLGKVZWXHCOBF-UHFFFAOYSA-N
XLogP0.67
TPSA101.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(2-aminoethylamino)-4-nitrophenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(5-fluoro-4-iodo-2-nitrophenyl)ethane-1,2-diamine
CID 66086750
4-(2-aminoethylamino)-3-nitrobenzamide;hydrochloride
CID 155577579
4-[(5-chloro-2-nitroanilino)methyl]phenol
CID 43685982
methyl 3-(3-aminopropylamino)-4-nitrobenzoate
CID 67235731
3-[(1S)-1,2-diaminoethyl]-4-nitrophenol
CID 55264320
4-(2-aminoethylamino)-N,N-dimethyl-3-nitrobenzenesulfonamide
CID 43162671
4-(2-aminoethylamino)-3-nitrobenzenesulfonamide;hydrochloride
CID 155669962
1-N-(2-aminoethyl)-2-nitrobenzene-1,4-diamine;ethane;propane
CID 162439486
1-N-(2-aminoethyl)-2-chloro-5-nitrobenzene-1,4-diamine
CID 19827449
2-(5-fluoro-2-nitroanilino)ethylurea
CID 83114042
4-[2-(2-nitroanilino)ethyl]phenol
CID 47361180
2-[2-(5-chloro-2-nitroanilino)ethoxy]acetamide
CID 106239649

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethylamino)-4-nitrophenol?
The IUPAC name of 3-(2-aminoethylamino)-4-nitrophenol (CID 18984056) is 3-(2-aminoethylamino)-4-nitrophenol.
What is the SMILES notation for 3-(2-aminoethylamino)-4-nitrophenol?
The canonical SMILES for 3-(2-aminoethylamino)-4-nitrophenol is NCCNc1cc(O)ccc1[N+](=O)[O-].
What is the InChIKey of 3-(2-aminoethylamino)-4-nitrophenol?
The InChIKey is XWLGKVZWXHCOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c9-3-4-10-7-5-6(12)1-2-8(7)11(13)14/h1-2,5,10,12H,3-4,9H2.
What are the key properties of 3-(2-aminoethylamino)-4-nitrophenol?
3-(2-aminoethylamino)-4-nitrophenol has a molecular weight of 197.19 g/mol, XLogP of 0.67, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethylamino)-4-nitrophenol is sourced from PubChem (CID 18984056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).