2-(3,4-diaminophenyl)ethanol

C8H12N2O — CID 57370219

IUPAC2-(3,4-diaminophenyl)ethanol
SMILESNc1ccc(CCO)cc1N
InChIInChI=1S/C8H12N2O/c9-7-2-1-6(3-4-11)5-8(7)10/h1-2,5,11H,3-4,9-10H2
InChIKeyJBRDLNMAUMZCPN-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.39
Rot. Bonds2

About 2-(3,4-diaminophenyl)ethanol

2-(3,4-diaminophenyl)ethanol (PubChem CID 57370219) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 2-(3,4-diaminophenyl)ethanol.

Molecular Properties

Compound Name2-(3,4-diaminophenyl)ethanol
PubChem CID57370219
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name2-(3,4-diaminophenyl)ethanol
SMILESNc1ccc(CCO)cc1N
InChIInChI=1S/C8H12N2O/c9-7-2-1-6(3-4-11)5-8(7)10/h1-2,5,11H,3-4,9-10H2
InChIKeyJBRDLNMAUMZCPN-UHFFFAOYSA-N
XLogP0.39
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-diaminophenyl)ethanol?
The IUPAC name of 2-(3,4-diaminophenyl)ethanol (CID 57370219) is 2-(3,4-diaminophenyl)ethanol.
What is the SMILES notation for 2-(3,4-diaminophenyl)ethanol?
The canonical SMILES for 2-(3,4-diaminophenyl)ethanol is Nc1ccc(CCO)cc1N.
What is the InChIKey of 2-(3,4-diaminophenyl)ethanol?
The InChIKey is JBRDLNMAUMZCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c9-7-2-1-6(3-4-11)5-8(7)10/h1-2,5,11H,3-4,9-10H2.
What are the key properties of 2-(3,4-diaminophenyl)ethanol?
2-(3,4-diaminophenyl)ethanol has a molecular weight of 152.20 g/mol, XLogP of 0.39, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-diaminophenyl)ethanol is sourced from PubChem (CID 57370219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).