2-(2-amino-4-nitroanilino)-1-phenylethanol

C14H15N3O3 — CID 62508279

IUPAC2-(2-amino-4-nitroanilino)-1-phenylethanol
SMILESNc1cc([N+](=O)[O-])ccc1NCC(O)c1ccccc1
InChIInChI=1S/C14H15N3O3/c15-12-8-11(17(19)20)6-7-13(12)16-9-14(18)10-4-2-1-3-5-10/h1-8,14,16,18H,9,15H2
InChIKeyAJXIVOSTUKGBCO-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.32
Rot. Bonds5

About 2-(2-amino-4-nitroanilino)-1-phenylethanol

2-(2-amino-4-nitroanilino)-1-phenylethanol (PubChem CID 62508279) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-(2-amino-4-nitroanilino)-1-phenylethanol.

Molecular Properties

Compound Name2-(2-amino-4-nitroanilino)-1-phenylethanol
PubChem CID62508279
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name2-(2-amino-4-nitroanilino)-1-phenylethanol
SMILESNc1cc([N+](=O)[O-])ccc1NCC(O)c1ccccc1
InChIInChI=1S/C14H15N3O3/c15-12-8-11(17(19)20)6-7-13(12)16-9-14(18)10-4-2-1-3-5-10/h1-8,14,16,18H,9,15H2
InChIKeyAJXIVOSTUKGBCO-UHFFFAOYSA-N
XLogP2.32
TPSA101.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'}

Analyze 2-(2-amino-4-nitroanilino)-1-phenylethanol 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

(1S)-2-(2,4-dinitroanilino)-1-phenylethanol
CID 9311814
2-[4-nitro-2-(trifluoromethyl)anilino]-1-phenylethanol
CID 47051887
1-(2-amino-4-nitroanilino)-4-methylpentan-2-ol
CID 107151044
1-(2-amino-4-nitroanilino)-3-ethylpentan-2-ol
CID 106284232
2-(2-amino-4-bromoanilino)-1-phenylethanol
CID 43498872
2-(2-bromo-4-fluoroanilino)-1-(4-nitrophenyl)ethanol
CID 115344898
1-[(2R)-2-hydroxy-2-phenylethyl]-3-(2-methyl-4-nitrophenyl)urea
CID 99702023
N'-(2-chloro-4-nitrophenyl)-1-phenylethane-1,2-diamine
CID 63120881
2-(3-methyl-5-nitroanilino)-1-phenylethanol
CID 115981217
2-amino-N-(2,2-diphenylethyl)-4-nitrobenzamide
CID 139822137
(1R)-2-(3,4-dichloroanilino)-1-(4-nitrophenyl)ethanol
CID 6991040
2-[(2-chloro-5-nitrophenyl)methylamino]-1-phenylethanol
CID 43499152

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-nitroanilino)-1-phenylethanol?
The IUPAC name of 2-(2-amino-4-nitroanilino)-1-phenylethanol (CID 62508279) is 2-(2-amino-4-nitroanilino)-1-phenylethanol.
What is the SMILES notation for 2-(2-amino-4-nitroanilino)-1-phenylethanol?
The canonical SMILES for 2-(2-amino-4-nitroanilino)-1-phenylethanol is Nc1cc([N+](=O)[O-])ccc1NCC(O)c1ccccc1.
What is the InChIKey of 2-(2-amino-4-nitroanilino)-1-phenylethanol?
The InChIKey is AJXIVOSTUKGBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c15-12-8-11(17(19)20)6-7-13(12)16-9-14(18)10-4-2-1-3-5-10/h1-8,14,16,18H,9,15H2.
What are the key properties of 2-(2-amino-4-nitroanilino)-1-phenylethanol?
2-(2-amino-4-nitroanilino)-1-phenylethanol has a molecular weight of 273.29 g/mol, XLogP of 2.32, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-nitroanilino)-1-phenylethanol is sourced from PubChem (CID 62508279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).