[2-[2-(methylamino)ethoxy]-4-nitrophenyl]methanol

C10H14N2O4 — CID 176908438

IUPAC[2-[2-(methylamino)ethoxy]-4-nitrophenyl]methanol
SMILESCNCCOc1cc([N+](=O)[O-])ccc1CO
InChIInChI=1S/C10H14N2O4/c1-11-4-5-16-10-6-9(12(14)15)3-2-8(10)7-13/h2-3,6,11,13H,4-5,7H2,1H3
InChIKeyMYIDZJIYWASZQI-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.69
Rot. Bonds6

About [2-[2-(methylamino)ethoxy]-4-nitrophenyl]methanol

[2-[2-(methylamino)ethoxy]-4-nitrophenyl]methanol (PubChem CID 176908438) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is [2-[2-(methylamino)ethoxy]-4-nitrophenyl]methanol.

Molecular Properties

Compound Name[2-[2-(methylamino)ethoxy]-4-nitrophenyl]methanol
PubChem CID176908438
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name[2-[2-(methylamino)ethoxy]-4-nitrophenyl]methanol
SMILESCNCCOc1cc([N+](=O)[O-])ccc1CO
InChIInChI=1S/C10H14N2O4/c1-11-4-5-16-10-6-9(12(14)15)3-2-8(10)7-13/h2-3,6,11,13H,4-5,7H2,1H3
InChIKeyMYIDZJIYWASZQI-UHFFFAOYSA-N
XLogP0.69
TPSA84.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [2-[2-(methylamino)ethoxy]-4-nitrophenyl]methanol 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

4-[2-(hydroxymethyl)-4-nitrophenoxy]-2-methylbutan-2-ol
CID 79356216
[4-nitro-2-(trifluoromethoxy)phenyl]methanol
CID 171028715
N-[2-[2-(2-acetamidoethoxy)-4-nitrophenoxy]ethyl]acetamide
CID 5311932
[2-(2-fluoroethoxy)-5-nitrophenyl]methanol
CID 80695743
2-[2-(hydroxymethyl)-4-nitrophenoxy]-N-methylacetamide
CID 43472899
2-[2-(2-hydroxyethoxy)-4-nitrophenoxy]ethanol
CID 593462
(2-ethoxy-5-nitrophenyl)methanol
CID 28963811
2-methyl-N-[2-(2-methyl-5-nitrophenoxy)ethyl]propan-2-amine
CID 61386077
2-methyl-4-(2-methyl-5-nitrophenoxy)butan-2-ol
CID 79361061
tert-butyl N-[3-(2-methoxy-5-nitrophenoxy)propyl]carbamate
CID 142777700
[2-(3-ethoxypropoxy)-5-nitrophenyl]methanol
CID 65175373
[2-[2-(3-methylbutoxy)ethoxy]-5-nitrophenyl]methanol
CID 61484381

Frequently Asked Questions

What is the IUPAC name of [2-[2-(methylamino)ethoxy]-4-nitrophenyl]methanol?
The IUPAC name of [2-[2-(methylamino)ethoxy]-4-nitrophenyl]methanol (CID 176908438) is [2-[2-(methylamino)ethoxy]-4-nitrophenyl]methanol.
What is the SMILES notation for [2-[2-(methylamino)ethoxy]-4-nitrophenyl]methanol?
The canonical SMILES for [2-[2-(methylamino)ethoxy]-4-nitrophenyl]methanol is CNCCOc1cc([N+](=O)[O-])ccc1CO.
What is the InChIKey of [2-[2-(methylamino)ethoxy]-4-nitrophenyl]methanol?
The InChIKey is MYIDZJIYWASZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-11-4-5-16-10-6-9(12(14)15)3-2-8(10)7-13/h2-3,6,11,13H,4-5,7H2,1H3.
What are the key properties of [2-[2-(methylamino)ethoxy]-4-nitrophenyl]methanol?
[2-[2-(methylamino)ethoxy]-4-nitrophenyl]methanol has a molecular weight of 226.23 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(methylamino)ethoxy]-4-nitrophenyl]methanol is sourced from PubChem (CID 176908438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).