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

C11H16N2O4 — CID 23180222

IUPAC2-[2-hydroxyethyl-[(3-nitrophenyl)methyl]amino]ethanol
SMILESO=[N+]([O-])c1cccc(CN(CCO)CCO)c1
InChIInChI=1S/C11H16N2O4/c14-6-4-12(5-7-15)9-10-2-1-3-11(8-10)13(16)17/h1-3,8,14-15H,4-7,9H2
InChIKeyQEKRWNHZCGYCCQ-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.38
Rot. Bonds7

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

2-[2-hydroxyethyl-[(3-nitrophenyl)methyl]amino]ethanol (PubChem CID 23180222) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-[2-hydroxyethyl-[(3-nitrophenyl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[2-hydroxyethyl-[(3-nitrophenyl)methyl]amino]ethanol
PubChem CID23180222
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name2-[2-hydroxyethyl-[(3-nitrophenyl)methyl]amino]ethanol
SMILESO=[N+]([O-])c1cccc(CN(CCO)CCO)c1
InChIInChI=1S/C11H16N2O4/c14-6-4-12(5-7-15)9-10-2-1-3-11(8-10)13(16)17/h1-3,8,14-15H,4-7,9H2
InChIKeyQEKRWNHZCGYCCQ-UHFFFAOYSA-N
XLogP0.38
TPSA86.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.38
H-Bond Donors ≤ 52
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 2-[2-hydroxyethyl-[(3-nitrophenyl)methyl]amino]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-[(3-nitrophenyl)methyl-propylamino]ethanol
CID 30981311
2-[(3-nitrophenyl)methyl-prop-2-enylamino]ethanol
CID 111423236
2-[(3-nitrophenyl)methyl-pentan-3-ylamino]ethanol
CID 62014876
2-methyl-N-(2-methylpropyl)-N-[(3-nitrophenyl)methyl]propan-1-amine
CID 52525630
CID 157363920
CID 157363920
N'-ethyl-N'-[(3-nitrophenyl)methyl]ethane-1,2-diamine
CID 66568364
2-bromo-N-methyl-N-[(3-nitrophenyl)methyl]acetamide
CID 63681423
2-amino-N-methyl-N-[(3-nitrophenyl)methyl]propanamide
CID 54871470
2-[2-hydroxyethyl-[(4-methoxy-3-nitrophenyl)methyl]amino]ethanol chloride
CID 53347640
sodium 2-(3-nitrophenyl)acetate
CID 20571503
2-hydroxy-N-(2-hydroxyethyl)-N-[(3-nitrophenyl)methyl]ethanamine oxide
CID 134994270
1-cyclopropyl-1-(2-hydroxyethyl)-3-[(3-nitrophenyl)methyl]urea
CID 110908553

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl-[(3-nitrophenyl)methyl]amino]ethanol?
The IUPAC name of 2-[2-hydroxyethyl-[(3-nitrophenyl)methyl]amino]ethanol (CID 23180222) is 2-[2-hydroxyethyl-[(3-nitrophenyl)methyl]amino]ethanol.
What is the SMILES notation for 2-[2-hydroxyethyl-[(3-nitrophenyl)methyl]amino]ethanol?
The canonical SMILES for 2-[2-hydroxyethyl-[(3-nitrophenyl)methyl]amino]ethanol is O=[N+]([O-])c1cccc(CN(CCO)CCO)c1.
What is the InChIKey of 2-[2-hydroxyethyl-[(3-nitrophenyl)methyl]amino]ethanol?
The InChIKey is QEKRWNHZCGYCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c14-6-4-12(5-7-15)9-10-2-1-3-11(8-10)13(16)17/h1-3,8,14-15H,4-7,9H2.
What are the key properties of 2-[2-hydroxyethyl-[(3-nitrophenyl)methyl]amino]ethanol?
2-[2-hydroxyethyl-[(3-nitrophenyl)methyl]amino]ethanol has a molecular weight of 240.26 g/mol, XLogP of 0.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl-[(3-nitrophenyl)methyl]amino]ethanol is sourced from PubChem (CID 23180222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).