2-(methylamino)-2-pyridin-3-ylethanol;dihydrochloride

C8H14Cl2N2O — CID 167741216

IUPAC2-(methylamino)-2-pyridin-3-ylethanol;dihydrochloride
SMILESCNC(CO)c1cccnc1.Cl.Cl
InChIInChI=1S/C8H12N2O.2ClH/c1-9-8(6-11)7-3-2-4-10-5-7;;/h2-5,8-9,11H,6H2,1H3;2*1H
InChIKeyZGGMBXZJBKDTCX-UHFFFAOYSA-N
MW225.12 g/mol
LogP1.18
Rot. Bonds3

About 2-(methylamino)-2-pyridin-3-ylethanol;dihydrochloride

2-(methylamino)-2-pyridin-3-ylethanol;dihydrochloride (PubChem CID 167741216) has the molecular formula C8H14Cl2N2O and a molecular weight of 225.12 g/mol. Its IUPAC name is 2-(methylamino)-2-pyridin-3-ylethanol;dihydrochloride.

Molecular Properties

Compound Name2-(methylamino)-2-pyridin-3-ylethanol;dihydrochloride
PubChem CID167741216
Molecular FormulaC8H14Cl2N2O
Molecular Weight225.12 g/mol
Exact Mass224.05
IUPAC Name2-(methylamino)-2-pyridin-3-ylethanol;dihydrochloride
SMILESCNC(CO)c1cccnc1.Cl.Cl
InChIInChI=1S/C8H12N2O.2ClH/c1-9-8(6-11)7-3-2-4-10-5-7;;/h2-5,8-9,11H,6H2,1H3;2*1H
InChIKeyZGGMBXZJBKDTCX-UHFFFAOYSA-N
XLogP1.18
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.12
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(methylamino)-2-pyridin-3-ylethanol;dihydrochloride 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-(methylamino)-2-pyridin-3-ylethanol;dihydrochloride?
The IUPAC name of 2-(methylamino)-2-pyridin-3-ylethanol;dihydrochloride (CID 167741216) is 2-(methylamino)-2-pyridin-3-ylethanol;dihydrochloride.
What is the SMILES notation for 2-(methylamino)-2-pyridin-3-ylethanol;dihydrochloride?
The canonical SMILES for 2-(methylamino)-2-pyridin-3-ylethanol;dihydrochloride is CNC(CO)c1cccnc1.Cl.Cl.
What is the InChIKey of 2-(methylamino)-2-pyridin-3-ylethanol;dihydrochloride?
The InChIKey is ZGGMBXZJBKDTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O.2ClH/c1-9-8(6-11)7-3-2-4-10-5-7;;/h2-5,8-9,11H,6H2,1H3;2*1H.
What are the key properties of 2-(methylamino)-2-pyridin-3-ylethanol;dihydrochloride?
2-(methylamino)-2-pyridin-3-ylethanol;dihydrochloride has a molecular weight of 225.12 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-2-pyridin-3-ylethanol;dihydrochloride is sourced from PubChem (CID 167741216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).