2-[(2-amino-3-nitrophenyl)methyl-ethylamino]ethanol

C11H17N3O3 — CID 107350928

IUPAC2-[(2-amino-3-nitrophenyl)methyl-ethylamino]ethanol
SMILESCCN(CCO)Cc1cccc([N+](=O)[O-])c1N
InChIInChI=1S/C11H17N3O3/c1-2-13(6-7-15)8-9-4-3-5-10(11(9)12)14(16)17/h3-5,15H,2,6-8,12H2,1H3
InChIKeyWTAFMYUGSCLYCZ-UHFFFAOYSA-N
MW239.28 g/mol
LogP0.99
Rot. Bonds6

About 2-[(2-amino-3-nitrophenyl)methyl-ethylamino]ethanol

2-[(2-amino-3-nitrophenyl)methyl-ethylamino]ethanol (PubChem CID 107350928) has the molecular formula C11H17N3O3 and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-[(2-amino-3-nitrophenyl)methyl-ethylamino]ethanol.

Molecular Properties

Compound Name2-[(2-amino-3-nitrophenyl)methyl-ethylamino]ethanol
PubChem CID107350928
Molecular FormulaC11H17N3O3
Molecular Weight239.28 g/mol
Exact Mass239.13
IUPAC Name2-[(2-amino-3-nitrophenyl)methyl-ethylamino]ethanol
SMILESCCN(CCO)Cc1cccc([N+](=O)[O-])c1N
InChIInChI=1S/C11H17N3O3/c1-2-13(6-7-15)8-9-4-3-5-10(11(9)12)14(16)17/h3-5,15H,2,6-8,12H2,1H3
InChIKeyWTAFMYUGSCLYCZ-UHFFFAOYSA-N
XLogP0.99
TPSA92.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 50.99
H-Bond Donors ≤ 52
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-3-nitrophenyl)methyl-ethylamino]ethanol 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

2-[(2-amino-3-nitrophenyl)methyl-ethylamino]-N,N-dimethylacetamide
CID 107351087
N'-[(2-amino-3-nitrophenyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 107351082
2-[(2-amino-3-nitrophenyl)methyl-propylamino]-N,N-dimethylacetamide
CID 107351216
2-[[bis(2-methylpropyl)amino]methyl]-6-nitroaniline
CID 107350943
2-[[ethyl(pyridin-2-ylmethyl)amino]methyl]-6-nitroaniline
CID 107351465
2-[[methyl(pentan-3-yl)amino]methyl]-6-nitroaniline
CID 107350885
2-[butyl-[[2-(methylamino)-3-nitrophenyl]methyl]amino]ethanol
CID 107351000
N-ethyl-N-[(2-fluoro-3-nitrophenyl)methyl]ethanamine
CID 70295850
2-[(3-amino-2-methylphenyl)methyl-ethylamino]ethanol
CID 60980897
3-[ethyl-[(2-nitrophenyl)methyl]amino]propanenitrile
CID 54942473
2-amino-N,N-bis(2-hydroxyethyl)-3-nitrobenzamide
CID 112551984
2-[2,2-difluoroethyl-[(2-hydrazinyl-3-nitrophenyl)methyl]amino]ethanol
CID 107486352

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-3-nitrophenyl)methyl-ethylamino]ethanol?
The IUPAC name of 2-[(2-amino-3-nitrophenyl)methyl-ethylamino]ethanol (CID 107350928) is 2-[(2-amino-3-nitrophenyl)methyl-ethylamino]ethanol.
What is the SMILES notation for 2-[(2-amino-3-nitrophenyl)methyl-ethylamino]ethanol?
The canonical SMILES for 2-[(2-amino-3-nitrophenyl)methyl-ethylamino]ethanol is CCN(CCO)Cc1cccc([N+](=O)[O-])c1N.
What is the InChIKey of 2-[(2-amino-3-nitrophenyl)methyl-ethylamino]ethanol?
The InChIKey is WTAFMYUGSCLYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-2-13(6-7-15)8-9-4-3-5-10(11(9)12)14(16)17/h3-5,15H,2,6-8,12H2,1H3.
What are the key properties of 2-[(2-amino-3-nitrophenyl)methyl-ethylamino]ethanol?
2-[(2-amino-3-nitrophenyl)methyl-ethylamino]ethanol has a molecular weight of 239.28 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-3-nitrophenyl)methyl-ethylamino]ethanol is sourced from PubChem (CID 107350928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).