2-amino-1-(5-ethyl-3-pyridinyl)ethanol

C9H14N2O — CID 84652439

IUPAC2-amino-1-(5-ethyl-3-pyridinyl)ethanol
SMILESCCc1cncc(C(O)CN)c1
InChIInChI=1S/C9H14N2O/c1-2-7-3-8(6-11-5-7)9(12)4-10/h3,5-6,9,12H,2,4,10H2,1H3
InChIKeyFWUMOFOJYSGNEP-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.64
Rot. Bonds3

About 2-amino-1-(5-ethyl-3-pyridinyl)ethanol

2-amino-1-(5-ethyl-3-pyridinyl)ethanol (PubChem CID 84652439) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-amino-1-(5-ethyl-3-pyridinyl)ethanol.

Molecular Properties

Compound Name2-amino-1-(5-ethyl-3-pyridinyl)ethanol
PubChem CID84652439
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name2-amino-1-(5-ethyl-3-pyridinyl)ethanol
SMILESCCc1cncc(C(O)CN)c1
InChIInChI=1S/C9H14N2O/c1-2-7-3-8(6-11-5-7)9(12)4-10/h3,5-6,9,12H,2,4,10H2,1H3
InChIKeyFWUMOFOJYSGNEP-UHFFFAOYSA-N
XLogP0.64
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-1-(5-ethyl-3-pyridinyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-ethyl-3-pyridinyl)ethanol?
The IUPAC name of 2-amino-1-(5-ethyl-3-pyridinyl)ethanol (CID 84652439) is 2-amino-1-(5-ethyl-3-pyridinyl)ethanol.
What is the SMILES notation for 2-amino-1-(5-ethyl-3-pyridinyl)ethanol?
The canonical SMILES for 2-amino-1-(5-ethyl-3-pyridinyl)ethanol is CCc1cncc(C(O)CN)c1.
What is the InChIKey of 2-amino-1-(5-ethyl-3-pyridinyl)ethanol?
The InChIKey is FWUMOFOJYSGNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-2-7-3-8(6-11-5-7)9(12)4-10/h3,5-6,9,12H,2,4,10H2,1H3.
What are the key properties of 2-amino-1-(5-ethyl-3-pyridinyl)ethanol?
2-amino-1-(5-ethyl-3-pyridinyl)ethanol has a molecular weight of 166.22 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-ethyl-3-pyridinyl)ethanol is sourced from PubChem (CID 84652439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).