2-[2-amino-3-(3-nitrophenyl)phenyl]ethanol

C14H14N2O3 — CID 154344655

IUPAC2-[2-amino-3-(3-nitrophenyl)phenyl]ethanol
SMILESNc1c(CCO)cccc1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H14N2O3/c15-14-10(7-8-17)3-2-6-13(14)11-4-1-5-12(9-11)16(18)19/h1-6,9,17H,7-8,15H2
InChIKeyJISPANABPZAFRC-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.38
Rot. Bonds4

About 2-[2-amino-3-(3-nitrophenyl)phenyl]ethanol

2-[2-amino-3-(3-nitrophenyl)phenyl]ethanol (PubChem CID 154344655) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-[2-amino-3-(3-nitrophenyl)phenyl]ethanol.

Molecular Properties

Compound Name2-[2-amino-3-(3-nitrophenyl)phenyl]ethanol
PubChem CID154344655
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name2-[2-amino-3-(3-nitrophenyl)phenyl]ethanol
SMILESNc1c(CCO)cccc1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H14N2O3/c15-14-10(7-8-17)3-2-6-13(14)11-4-1-5-12(9-11)16(18)19/h1-6,9,17H,7-8,15H2
InChIKeyJISPANABPZAFRC-UHFFFAOYSA-N
XLogP2.38
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.38
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'}

Analyze 2-[2-amino-3-(3-nitrophenyl)phenyl]ethanol 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

3-amino-4-(3-nitrophenyl)cyclobut-3-ene-1,2-dione
CID 142659202
CID 157363920
CID 157363920
4-[2-amino-3-(2-hydroxyethyl)phenyl]benzaldehyde
CID 154175509
2,6-difluoro-3-(3-nitrophenyl)aniline
CID 165455760
ethyl 2-(3-nitrophenyl)benzoate
CID 71742619
1-(3-nitrophenyl)-3-phenylbenzene
CID 12623202
2-amino-4-(4-methylphenyl)-6-(3-nitrophenyl)benzene-1,3-dicarbonitrile
CID 2772313
2-[2-amino-3-(4-methylsulfanylphenyl)phenyl]ethanol
CID 154392985
2-[4-(3-nitrophenyl)phenyl]ethanamine
CID 54428619
1-(3-nitrophenyl)-9H-fluorene
CID 150413743
2-[5-methyl-2-(3-nitrophenyl)-1,3-oxazol-4-yl]ethanol
CID 25147932
azane;2-(2-hydroxyethyl)-5-nitrophenol
CID 19911095

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-3-(3-nitrophenyl)phenyl]ethanol?
The IUPAC name of 2-[2-amino-3-(3-nitrophenyl)phenyl]ethanol (CID 154344655) is 2-[2-amino-3-(3-nitrophenyl)phenyl]ethanol.
What is the SMILES notation for 2-[2-amino-3-(3-nitrophenyl)phenyl]ethanol?
The canonical SMILES for 2-[2-amino-3-(3-nitrophenyl)phenyl]ethanol is Nc1c(CCO)cccc1-c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-[2-amino-3-(3-nitrophenyl)phenyl]ethanol?
The InChIKey is JISPANABPZAFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c15-14-10(7-8-17)3-2-6-13(14)11-4-1-5-12(9-11)16(18)19/h1-6,9,17H,7-8,15H2.
What are the key properties of 2-[2-amino-3-(3-nitrophenyl)phenyl]ethanol?
2-[2-amino-3-(3-nitrophenyl)phenyl]ethanol has a molecular weight of 258.28 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-3-(3-nitrophenyl)phenyl]ethanol is sourced from PubChem (CID 154344655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).