2-[methyl(pyridin-4-ylmethyl)amino]ethanol

C9H14N2O — CID 23035512

IUPAC2-[methyl(pyridin-4-ylmethyl)amino]ethanol
SMILESCN(CCO)Cc1ccncc1
InChIInChI=1S/C9H14N2O/c1-11(6-7-12)8-9-2-4-10-5-3-9/h2-5,12H,6-8H2,1H3
InChIKeyMOQJZPZRWNLSFK-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.51
Rot. Bonds4

About 2-[methyl(pyridin-4-ylmethyl)amino]ethanol

2-[methyl(pyridin-4-ylmethyl)amino]ethanol (PubChem CID 23035512) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-[methyl(pyridin-4-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[methyl(pyridin-4-ylmethyl)amino]ethanol
PubChem CID23035512
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name2-[methyl(pyridin-4-ylmethyl)amino]ethanol
SMILESCN(CCO)Cc1ccncc1
InChIInChI=1S/C9H14N2O/c1-11(6-7-12)8-9-2-4-10-5-3-9/h2-5,12H,6-8H2,1H3
InChIKeyMOQJZPZRWNLSFK-UHFFFAOYSA-N
XLogP0.51
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(pyridin-4-ylmethyl)amino]ethanol?
The IUPAC name of 2-[methyl(pyridin-4-ylmethyl)amino]ethanol (CID 23035512) is 2-[methyl(pyridin-4-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[methyl(pyridin-4-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[methyl(pyridin-4-ylmethyl)amino]ethanol is CN(CCO)Cc1ccncc1.
What is the InChIKey of 2-[methyl(pyridin-4-ylmethyl)amino]ethanol?
The InChIKey is MOQJZPZRWNLSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-11(6-7-12)8-9-2-4-10-5-3-9/h2-5,12H,6-8H2,1H3.
What are the key properties of 2-[methyl(pyridin-4-ylmethyl)amino]ethanol?
2-[methyl(pyridin-4-ylmethyl)amino]ethanol has a molecular weight of 166.22 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(pyridin-4-ylmethyl)amino]ethanol is sourced from PubChem (CID 23035512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).