(1S)-2-(methylamino)-1-pyridin-3-ylethanol

C8H12N2O — CID 10171254

IUPAC(1S)-2-(methylamino)-1-pyridin-3-ylethanol
SMILESCNC[C@@H](O)c1cccnc1
InChIInChI=1S/C8H12N2O/c1-9-6-8(11)7-3-2-4-10-5-7/h2-5,8-9,11H,6H2,1H3/t8-/m1/s1
InChIKeyZMNPYUZBXUXOLC-MRVPVSSYSA-N
MW152.20 g/mol
LogP0.33
Rot. Bonds3

About (1S)-2-(methylamino)-1-pyridin-3-ylethanol

(1S)-2-(methylamino)-1-pyridin-3-ylethanol (PubChem CID 10171254) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is (1S)-2-(methylamino)-1-pyridin-3-ylethanol.

Molecular Properties

Compound Name(1S)-2-(methylamino)-1-pyridin-3-ylethanol
PubChem CID10171254
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name(1S)-2-(methylamino)-1-pyridin-3-ylethanol
SMILESCNC[C@@H](O)c1cccnc1
InChIInChI=1S/C8H12N2O/c1-9-6-8(11)7-3-2-4-10-5-7/h2-5,8-9,11H,6H2,1H3/t8-/m1/s1
InChIKeyZMNPYUZBXUXOLC-MRVPVSSYSA-N
XLogP0.33
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-hydroxy-2-pyridin-3-ylethyl)carbamic acid
CID 21105805
2-(2-methylanilino)-1-pyridin-3-ylethanol
CID 82040364
1-phenyl-2-(1-pyridin-3-ylethylamino)ethanol
CID 43499221
N-methyl-2-(4-propan-2-ylphenyl)-2-pyridin-3-ylethanamine
CID 116824741
2-(2-phenylethylamino)-1-pyridin-3-ylethanol
CID 20826867
(1R)-2-phenyl-1-pyridin-3-ylethanol
CID 93312258
(2S)-1-[[(1S)-1-pyridin-3-ylethyl]amino]propan-2-ol
CID 93082162
(1S)-1-(4-methylphenyl)-2-[[(1S)-1-pyridin-3-ylethyl]amino]ethanol
CID 97158238
N,3-dimethyl-2-pyridin-3-ylhexan-1-amine
CID 107887227
1-(2-hydroxy-2-pyridin-3-ylethyl)-3-phenylurea
CID 23996231
4-methyl-1-pyridin-3-ylpent-4-en-1-ol
CID 114473785
2-methyl-3-(methylamino)-N-[phenyl(pyridin-3-yl)methyl]propanamide
CID 119875686

Frequently Asked Questions

What is the IUPAC name of (1S)-2-(methylamino)-1-pyridin-3-ylethanol?
The IUPAC name of (1S)-2-(methylamino)-1-pyridin-3-ylethanol (CID 10171254) is (1S)-2-(methylamino)-1-pyridin-3-ylethanol.
What is the SMILES notation for (1S)-2-(methylamino)-1-pyridin-3-ylethanol?
The canonical SMILES for (1S)-2-(methylamino)-1-pyridin-3-ylethanol is CNC[C@@H](O)c1cccnc1.
What is the InChIKey of (1S)-2-(methylamino)-1-pyridin-3-ylethanol?
The InChIKey is ZMNPYUZBXUXOLC-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-9-6-8(11)7-3-2-4-10-5-7/h2-5,8-9,11H,6H2,1H3/t8-/m1/s1.
What are the key properties of (1S)-2-(methylamino)-1-pyridin-3-ylethanol?
(1S)-2-(methylamino)-1-pyridin-3-ylethanol has a molecular weight of 152.20 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(methylamino)-1-pyridin-3-ylethanol is sourced from PubChem (CID 10171254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).