(2S)-2-amino-2-(6-methyl-3-pyridinyl)ethanol;dihydrochloride

C8H14Cl2N2O — CID 67034159

IUPAC(2S)-2-amino-2-(6-methyl-3-pyridinyl)ethanol;dihydrochloride
SMILESCc1ccc([C@H](N)CO)cn1.Cl.Cl
InChIInChI=1S/C8H12N2O.2ClH/c1-6-2-3-7(4-10-6)8(9)5-11;;/h2-4,8,11H,5,9H2,1H3;2*1H/t8-;;/m1../s1
InChIKeyXLGSMURKSQBONT-YCBDHFTFSA-N
MW225.12 g/mol
LogP1.23
Rot. Bonds2

About (2S)-2-amino-2-(6-methyl-3-pyridinyl)ethanol;dihydrochloride

(2S)-2-amino-2-(6-methyl-3-pyridinyl)ethanol;dihydrochloride (PubChem CID 67034159) has the molecular formula C8H14Cl2N2O and a molecular weight of 225.12 g/mol. Its IUPAC name is (2S)-2-amino-2-(6-methyl-3-pyridinyl)ethanol;dihydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-2-(6-methyl-3-pyridinyl)ethanol;dihydrochloride
PubChem CID67034159
Molecular FormulaC8H14Cl2N2O
Molecular Weight225.12 g/mol
Exact Mass224.05
IUPAC Name(2S)-2-amino-2-(6-methyl-3-pyridinyl)ethanol;dihydrochloride
SMILESCc1ccc([C@H](N)CO)cn1.Cl.Cl
InChIInChI=1S/C8H12N2O.2ClH/c1-6-2-3-7(4-10-6)8(9)5-11;;/h2-4,8,11H,5,9H2,1H3;2*1H/t8-;;/m1../s1
InChIKeyXLGSMURKSQBONT-YCBDHFTFSA-N
XLogP1.23
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.12
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-amino-3-(6-methyl-3-pyridinyl)propanoic acid
CID 55293917
(2S)-2-amino-2-[6-(hydroxymethyl)-3-pyridinyl]ethanol
CID 55263220
1-(6-methyl-3-pyridinyl)propane-1,2,3-triol
CID 170817362
2-(2,6-dichlorophenyl)-1-(6-methyl-3-pyridinyl)ethanamine
CID 63155828
2-cyclopentyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 115854888
(2S)-2-amino-2-(2-methyl-4-pyridinyl)ethanol
CID 55264047
2-amino-2-(2-methyl-4-pyridinyl)ethanol
CID 55292030
3-(2-methoxyethoxy)-1-(6-methyl-3-pyridinyl)propan-1-amine
CID 102927840
methyl 5-[(1R)-1-amino-2-hydroxyethyl]pyridine-2-carboxylate
CID 131869040
2-amino-2-(4-propan-2-ylphenyl)ethanol;hydrochloride
CID 155487486
2-(2-fluorophenyl)-1-(6-methyl-3-pyridinyl)ethanamine
CID 63155968
2-(2-chlorophenyl)-1-(6-methyl-3-pyridinyl)ethanamine
CID 55166211

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(6-methyl-3-pyridinyl)ethanol;dihydrochloride?
The IUPAC name of (2S)-2-amino-2-(6-methyl-3-pyridinyl)ethanol;dihydrochloride (CID 67034159) is (2S)-2-amino-2-(6-methyl-3-pyridinyl)ethanol;dihydrochloride.
What is the SMILES notation for (2S)-2-amino-2-(6-methyl-3-pyridinyl)ethanol;dihydrochloride?
The canonical SMILES for (2S)-2-amino-2-(6-methyl-3-pyridinyl)ethanol;dihydrochloride is Cc1ccc([C@H](N)CO)cn1.Cl.Cl.
What is the InChIKey of (2S)-2-amino-2-(6-methyl-3-pyridinyl)ethanol;dihydrochloride?
The InChIKey is XLGSMURKSQBONT-YCBDHFTFSA-N. The full InChI is InChI=1S/C8H12N2O.2ClH/c1-6-2-3-7(4-10-6)8(9)5-11;;/h2-4,8,11H,5,9H2,1H3;2*1H/t8-;;/m1../s1.
What are the key properties of (2S)-2-amino-2-(6-methyl-3-pyridinyl)ethanol;dihydrochloride?
(2S)-2-amino-2-(6-methyl-3-pyridinyl)ethanol;dihydrochloride has a molecular weight of 225.12 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(6-methyl-3-pyridinyl)ethanol;dihydrochloride is sourced from PubChem (CID 67034159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).