2-(3-amino-4-ethyl-2-nitrophenyl)ethanol

C10H14N2O3 — CID 142998894

IUPAC2-(3-amino-4-ethyl-2-nitrophenyl)ethanol
SMILESCCc1ccc(CCO)c([N+](=O)[O-])c1N
InChIInChI=1S/C10H14N2O3/c1-2-7-3-4-8(5-6-13)10(9(7)11)12(14)15/h3-4,13H,2,5-6,11H2,1H3
InChIKeyBHCSAQMNSVBGDW-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.27
Rot. Bonds4

About 2-(3-amino-4-ethyl-2-nitrophenyl)ethanol

2-(3-amino-4-ethyl-2-nitrophenyl)ethanol (PubChem CID 142998894) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-(3-amino-4-ethyl-2-nitrophenyl)ethanol.

Molecular Properties

Compound Name2-(3-amino-4-ethyl-2-nitrophenyl)ethanol
PubChem CID142998894
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-(3-amino-4-ethyl-2-nitrophenyl)ethanol
SMILESCCc1ccc(CCO)c([N+](=O)[O-])c1N
InChIInChI=1S/C10H14N2O3/c1-2-7-3-4-8(5-6-13)10(9(7)11)12(14)15/h3-4,13H,2,5-6,11H2,1H3
InChIKeyBHCSAQMNSVBGDW-UHFFFAOYSA-N
XLogP1.27
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-[3-amino-2-nitro-4-(trifluoromethyl)phenyl]ethanol
CID 54531347
2-(1-nitronaphthalen-2-yl)ethanol
CID 121008268
2-amino-6-(2-hydroxyethyl)-3-nitrophenol
CID 67031897
6-(2-hydroxyethyl)-5-nitrochromen-2-one
CID 59776451
3-amino-4-(2-hydroxybutyl)-2-nitrophenol
CID 67708781
2-[3-(2-hydroxyethyl)-2-nitrophenyl]ethyl prop-2-enoate
CID 164897892
2-[4-(2-hydroxyethyl)-3-nitrophenyl]ethanol;methane
CID 146240647
2-(3-amino-6-methoxy-2-nitrophenyl)ethanol;azane
CID 21320601
4-amino-3-ethylphenol;3-ethyl-4-nitrophenol
CID 159911548
3-(3,6-diamino-2-nitrophenyl)propan-1-ol
CID 19909189
3-(chloromethyl)-6-fluoro-2-nitroaniline
CID 130848231
azane;2-(2-hydroxyethyl)-5-nitrophenol
CID 19911095

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-ethyl-2-nitrophenyl)ethanol?
The IUPAC name of 2-(3-amino-4-ethyl-2-nitrophenyl)ethanol (CID 142998894) is 2-(3-amino-4-ethyl-2-nitrophenyl)ethanol.
What is the SMILES notation for 2-(3-amino-4-ethyl-2-nitrophenyl)ethanol?
The canonical SMILES for 2-(3-amino-4-ethyl-2-nitrophenyl)ethanol is CCc1ccc(CCO)c([N+](=O)[O-])c1N.
What is the InChIKey of 2-(3-amino-4-ethyl-2-nitrophenyl)ethanol?
The InChIKey is BHCSAQMNSVBGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-2-7-3-4-8(5-6-13)10(9(7)11)12(14)15/h3-4,13H,2,5-6,11H2,1H3.
What are the key properties of 2-(3-amino-4-ethyl-2-nitrophenyl)ethanol?
2-(3-amino-4-ethyl-2-nitrophenyl)ethanol has a molecular weight of 210.23 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-ethyl-2-nitrophenyl)ethanol is sourced from PubChem (CID 142998894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).