2-[(dimethylamino)methyl]-6-nitrophenol

C9H12N2O3 — CID 931564

IUPAC2-[(dimethylamino)methyl]-6-nitrophenol
SMILESCN(C)Cc1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C9H12N2O3/c1-10(2)6-7-4-3-5-8(9(7)12)11(13)14/h3-5,12H,6H2,1-2H3
InChIKeySMDHMIAGXJYMKY-UHFFFAOYSA-N
MW196.21 g/mol
LogP1.36
Rot. Bonds3

About 2-[(dimethylamino)methyl]-6-nitrophenol

2-[(dimethylamino)methyl]-6-nitrophenol (PubChem CID 931564) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-6-nitrophenol.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-6-nitrophenol
PubChem CID931564
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name2-[(dimethylamino)methyl]-6-nitrophenol
SMILESCN(C)Cc1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C9H12N2O3/c1-10(2)6-7-4-3-5-8(9(7)12)11(13)14/h3-5,12H,6H2,1-2H3
InChIKeySMDHMIAGXJYMKY-UHFFFAOYSA-N
XLogP1.36
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

Analyze 2-[(dimethylamino)methyl]-6-nitrophenol 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-Methyl-4,6-dinitrophenol
CID 10800
4-Methyl-2-nitrophenol
CID 8391
Phenol, 4-((bis(2-hydroxyethyl)amino)methyl)-2-nitro-, hydrochloride
CID 3060241
2-Methyl-6-nitrophenol
CID 83103
2-((Ethylamino)methyl)-4-nitrophenol
CID 94665
4-(1-Methylpropyl)-2-nitrophenol
CID 19085
Phenol, 2,4-dimethyl-6-nitro-
CID 84450
4-(1-Azepanylmethyl)-2-nitrophenol
CID 743008
2-(1-Azepanylmethyl)-4-nitrophenol
CID 782877
3-Nitrotyramine
CID 18958330
(2E)-2-(2-hydroxy-3-nitrobenzylidene)hydrazinecarboximidamide
CID 135433254
2-Hydroxy-3-nitrobiphenyl
CID 160745

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-6-nitrophenol?
The IUPAC name of 2-[(dimethylamino)methyl]-6-nitrophenol (CID 931564) is 2-[(dimethylamino)methyl]-6-nitrophenol.
What is the SMILES notation for 2-[(dimethylamino)methyl]-6-nitrophenol?
The canonical SMILES for 2-[(dimethylamino)methyl]-6-nitrophenol is CN(C)Cc1cccc([N+](=O)[O-])c1O.
What is the InChIKey of 2-[(dimethylamino)methyl]-6-nitrophenol?
The InChIKey is SMDHMIAGXJYMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-10(2)6-7-4-3-5-8(9(7)12)11(13)14/h3-5,12H,6H2,1-2H3.
What are the key properties of 2-[(dimethylamino)methyl]-6-nitrophenol?
2-[(dimethylamino)methyl]-6-nitrophenol has a molecular weight of 196.21 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-6-nitrophenol is sourced from PubChem (CID 931564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).