2-(3-amino-6-methoxy-2-nitrophenyl)ethanol;azane

C9H15N3O4 — CID 21320601

IUPAC2-(3-amino-6-methoxy-2-nitrophenyl)ethanol;azane
SMILESCOc1ccc(N)c([N+](=O)[O-])c1CCO.N
InChIInChI=1S/C9H12N2O4.H3N/c1-15-8-3-2-7(10)9(11(13)14)6(8)4-5-12;/h2-3,12H,4-5,10H2,1H3;1H3
InChIKeyLNRDLFGLSYPUJQ-UHFFFAOYSA-N
MW229.24 g/mol
LogP0.88
Rot. Bonds4

About 2-(3-amino-6-methoxy-2-nitrophenyl)ethanol;azane

2-(3-amino-6-methoxy-2-nitrophenyl)ethanol;azane (PubChem CID 21320601) has the molecular formula C9H15N3O4 and a molecular weight of 229.24 g/mol. Its IUPAC name is 2-(3-amino-6-methoxy-2-nitrophenyl)ethanol;azane.

Molecular Properties

Compound Name2-(3-amino-6-methoxy-2-nitrophenyl)ethanol;azane
PubChem CID21320601
Molecular FormulaC9H15N3O4
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC Name2-(3-amino-6-methoxy-2-nitrophenyl)ethanol;azane
SMILESCOc1ccc(N)c([N+](=O)[O-])c1CCO.N
InChIInChI=1S/C9H12N2O4.H3N/c1-15-8-3-2-7(10)9(11(13)14)6(8)4-5-12;/h2-3,12H,4-5,10H2,1H3;1H3
InChIKeyLNRDLFGLSYPUJQ-UHFFFAOYSA-N
XLogP0.88
TPSA133.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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'}

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Related Compounds

3-(3,6-diamino-2-nitrophenyl)propan-1-ol
CID 19909189
2-amino-3-(2-hydroxyethyl)-4-methoxyphenol
CID 54447176
methyl 2-(3-amino-6-methyl-2-nitrophenyl)acetate
CID 171030727
2-(3,6-dimethoxy-2-methylphenyl)ethanol
CID 117286361
2-(3-amino-2-fluoro-6-nitrophenyl)ethanol
CID 20792213
3-(acetyloxymethyl)-4-methoxy-2-nitrobenzenediazonium
CID 134929645
1,3-dichloro-4-methoxy-2-nitrobenzene
CID 20513886
6-(hydroxymethyl)-3-methoxy-2-nitrobenzonitrile
CID 171027355
3-(3-amino-6-hydroxy-2-nitrophenyl)propane-1,1-diol
CID 91885307
2-(3-amino-4-ethyl-2-nitrophenyl)ethanol
CID 142998894
2-(2-hydroxyethyl)-3-(hydroxymethyl)-4-methoxybenzoic acid
CID 44578581
3-(2-methoxyphenyl)-2-nitro-4-(trifluoromethyl)aniline
CID 67958753

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-6-methoxy-2-nitrophenyl)ethanol;azane?
The IUPAC name of 2-(3-amino-6-methoxy-2-nitrophenyl)ethanol;azane (CID 21320601) is 2-(3-amino-6-methoxy-2-nitrophenyl)ethanol;azane.
What is the SMILES notation for 2-(3-amino-6-methoxy-2-nitrophenyl)ethanol;azane?
The canonical SMILES for 2-(3-amino-6-methoxy-2-nitrophenyl)ethanol;azane is COc1ccc(N)c([N+](=O)[O-])c1CCO.N.
What is the InChIKey of 2-(3-amino-6-methoxy-2-nitrophenyl)ethanol;azane?
The InChIKey is LNRDLFGLSYPUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4.H3N/c1-15-8-3-2-7(10)9(11(13)14)6(8)4-5-12;/h2-3,12H,4-5,10H2,1H3;1H3.
What are the key properties of 2-(3-amino-6-methoxy-2-nitrophenyl)ethanol;azane?
2-(3-amino-6-methoxy-2-nitrophenyl)ethanol;azane has a molecular weight of 229.24 g/mol, XLogP of 0.88, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-6-methoxy-2-nitrophenyl)ethanol;azane is sourced from PubChem (CID 21320601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).