(1R,2S)-1-amino-1-(2,6-dimethyl-3-pyridinyl)propan-2-ol

C10H16N2O — CID 55292437

IUPAC(1R,2S)-1-amino-1-(2,6-dimethyl-3-pyridinyl)propan-2-ol
SMILESCc1ccc([C@@H](N)[C@H](C)O)c(C)n1
InChIInChI=1S/C10H16N2O/c1-6-4-5-9(7(2)12-6)10(11)8(3)13/h4-5,8,10,13H,11H2,1-3H3/t8-,10-/m0/s1
InChIKeyHXFQSQFFKZNXJG-WPRPVWTQSA-N
MW180.25 g/mol
LogP1.08
Rot. Bonds2

About (1R,2S)-1-amino-1-(2,6-dimethyl-3-pyridinyl)propan-2-ol

(1R,2S)-1-amino-1-(2,6-dimethyl-3-pyridinyl)propan-2-ol (PubChem CID 55292437) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is (1R,2S)-1-amino-1-(2,6-dimethyl-3-pyridinyl)propan-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-amino-1-(2,6-dimethyl-3-pyridinyl)propan-2-ol
PubChem CID55292437
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name(1R,2S)-1-amino-1-(2,6-dimethyl-3-pyridinyl)propan-2-ol
SMILESCc1ccc([C@@H](N)[C@H](C)O)c(C)n1
InChIInChI=1S/C10H16N2O/c1-6-4-5-9(7(2)12-6)10(11)8(3)13/h4-5,8,10,13H,11H2,1-3H3/t8-,10-/m0/s1
InChIKeyHXFQSQFFKZNXJG-WPRPVWTQSA-N
XLogP1.08
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2R)-1-amino-1-(6-fluoro-2-methyl-3-pyridinyl)propan-2-ol
CID 55292149
bis(2,6-dimethyl-3-pyridinyl)methanol
CID 141423650
1-(2,6-dimethyl-3-pyridinyl)-2-methylpropan-1-ol
CID 105133610
(2R)-2-amino-2-(2,6-dimethyl-3-pyridinyl)ethanol
CID 96740448
(2,6-dimethyl-3-pyridinyl)-(4-propan-2-ylphenyl)methanol
CID 115604819
3-amino-3-(2,6-dimethyl-3-pyridinyl)propanoic acid
CID 55296014
1-(2,6-dimethyl-3-pyridinyl)-3-methylidenepentan-1-amine
CID 105163949
(1R,2S)-1-amino-1-(2,6-dichloro-3-pyridinyl)propan-2-ol
CID 130618256
(1S)-1-(2,6-dimethyl-3-pyridinyl)-2-methoxyethanamine
CID 55294133
(R)-cyclopropyl-(2,6-dimethyl-3-pyridinyl)methanamine
CID 55262974
1-(2,6-dimethyl-3-pyridinyl)-2-ethylbutan-1-ol
CID 105114692
(2,6-dimethyl-3-pyridinyl)-phenylmethanol
CID 115604798

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-1-(2,6-dimethyl-3-pyridinyl)propan-2-ol?
The IUPAC name of (1R,2S)-1-amino-1-(2,6-dimethyl-3-pyridinyl)propan-2-ol (CID 55292437) is (1R,2S)-1-amino-1-(2,6-dimethyl-3-pyridinyl)propan-2-ol.
What is the SMILES notation for (1R,2S)-1-amino-1-(2,6-dimethyl-3-pyridinyl)propan-2-ol?
The canonical SMILES for (1R,2S)-1-amino-1-(2,6-dimethyl-3-pyridinyl)propan-2-ol is Cc1ccc([C@@H](N)[C@H](C)O)c(C)n1.
What is the InChIKey of (1R,2S)-1-amino-1-(2,6-dimethyl-3-pyridinyl)propan-2-ol?
The InChIKey is HXFQSQFFKZNXJG-WPRPVWTQSA-N. The full InChI is InChI=1S/C10H16N2O/c1-6-4-5-9(7(2)12-6)10(11)8(3)13/h4-5,8,10,13H,11H2,1-3H3/t8-,10-/m0/s1.
What are the key properties of (1R,2S)-1-amino-1-(2,6-dimethyl-3-pyridinyl)propan-2-ol?
(1R,2S)-1-amino-1-(2,6-dimethyl-3-pyridinyl)propan-2-ol has a molecular weight of 180.25 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-amino-1-(2,6-dimethyl-3-pyridinyl)propan-2-ol is sourced from PubChem (CID 55292437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).