2-[[2-hydroxyethyl(methyl)amino]methyl]-4-nitrophenol

C10H14N2O4 — CID 68609298

IUPAC2-[[2-hydroxyethyl(methyl)amino]methyl]-4-nitrophenol
SMILESCN(CCO)Cc1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C10H14N2O4/c1-11(4-5-13)7-8-6-9(12(15)16)2-3-10(8)14/h2-3,6,13-14H,4-5,7H2,1H3
InChIKeyIMPCKQXUJUWTNT-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.72
Rot. Bonds5

About 2-[[2-hydroxyethyl(methyl)amino]methyl]-4-nitrophenol

2-[[2-hydroxyethyl(methyl)amino]methyl]-4-nitrophenol (PubChem CID 68609298) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 2-[[2-hydroxyethyl(methyl)amino]methyl]-4-nitrophenol.

Molecular Properties

Compound Name2-[[2-hydroxyethyl(methyl)amino]methyl]-4-nitrophenol
PubChem CID68609298
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name2-[[2-hydroxyethyl(methyl)amino]methyl]-4-nitrophenol
SMILESCN(CCO)Cc1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C10H14N2O4/c1-11(4-5-13)7-8-6-9(12(15)16)2-3-10(8)14/h2-3,6,13-14H,4-5,7H2,1H3
InChIKeyIMPCKQXUJUWTNT-UHFFFAOYSA-N
XLogP0.72
TPSA86.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2-chloro-5-nitrophenyl)methyl-methylamino]ethanol
CID 60960383
2-[[2-(dimethylamino)ethyl-[(2-hydroxy-5-nitrophenyl)methyl]amino]methyl]-4-nitrophenol
CID 71372012
2-(hydroxymethyl)-4-nitrophenol;propane
CID 142101153
2-ethyl-4-nitrophenol;2-(hydroxymethyl)-4-nitrophenol;methane
CID 157342719
2-(aminomethyl)-4-nitrophenol
CID 2115073
(2-hydroxy-5-nitrophenyl)methylphosphanium bromide
CID 158775878
2-[(2-hydroxy-5-nitrophenyl)methoxymethyl]-4-nitrophenol
CID 56975056
2-[[2-[methyl(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]methyl]-4-nitrophenol
CID 136730929
ethane;2-[2-hydroxyethyl(methyl)amino]ethanol;nitrobenzene
CID 90851100
ethane;2-(2-hydroxy-5-nitrophenyl)-4-nitrophenol
CID 174888100
phenyl N-[(2-hydroxy-5-nitrophenyl)methyl]-N-methylcarbamate
CID 136825589
2-[(3-hydroxypropylamino)methyl]-4-nitrophenol
CID 82679278

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxyethyl(methyl)amino]methyl]-4-nitrophenol?
The IUPAC name of 2-[[2-hydroxyethyl(methyl)amino]methyl]-4-nitrophenol (CID 68609298) is 2-[[2-hydroxyethyl(methyl)amino]methyl]-4-nitrophenol.
What is the SMILES notation for 2-[[2-hydroxyethyl(methyl)amino]methyl]-4-nitrophenol?
The canonical SMILES for 2-[[2-hydroxyethyl(methyl)amino]methyl]-4-nitrophenol is CN(CCO)Cc1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of 2-[[2-hydroxyethyl(methyl)amino]methyl]-4-nitrophenol?
The InChIKey is IMPCKQXUJUWTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-11(4-5-13)7-8-6-9(12(15)16)2-3-10(8)14/h2-3,6,13-14H,4-5,7H2,1H3.
What are the key properties of 2-[[2-hydroxyethyl(methyl)amino]methyl]-4-nitrophenol?
2-[[2-hydroxyethyl(methyl)amino]methyl]-4-nitrophenol has a molecular weight of 226.23 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxyethyl(methyl)amino]methyl]-4-nitrophenol is sourced from PubChem (CID 68609298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).