(1S,2S)-1-amino-1-(2-methyl-4-pyridinyl)propan-2-ol

C9H14N2O — CID 55295314

IUPAC(1S,2S)-1-amino-1-(2-methyl-4-pyridinyl)propan-2-ol
SMILESCc1cc([C@H](N)[C@H](C)O)ccn1
InChIInChI=1S/C9H14N2O/c1-6-5-8(3-4-11-6)9(10)7(2)12/h3-5,7,9,12H,10H2,1-2H3/t7-,9+/m0/s1
InChIKeyTUXIUWVWLYMWGK-IONNQARKSA-N
MW166.22 g/mol
LogP0.77
Rot. Bonds2

About (1S,2S)-1-amino-1-(2-methyl-4-pyridinyl)propan-2-ol

(1S,2S)-1-amino-1-(2-methyl-4-pyridinyl)propan-2-ol (PubChem CID 55295314) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is (1S,2S)-1-amino-1-(2-methyl-4-pyridinyl)propan-2-ol.

Molecular Properties

Compound Name(1S,2S)-1-amino-1-(2-methyl-4-pyridinyl)propan-2-ol
PubChem CID55295314
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name(1S,2S)-1-amino-1-(2-methyl-4-pyridinyl)propan-2-ol
SMILESCc1cc([C@H](N)[C@H](C)O)ccn1
InChIInChI=1S/C9H14N2O/c1-6-5-8(3-4-11-6)9(10)7(2)12/h3-5,7,9,12H,10H2,1-2H3/t7-,9+/m0/s1
InChIKeyTUXIUWVWLYMWGK-IONNQARKSA-N
XLogP0.77
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2S)-1-amino-1-(2-amino-4-pyridinyl)propan-2-ol
CID 55291915
(1S,2R)-2-amino-1-(2-methyl-4-pyridinyl)propan-1-ol
CID 96740451
1-(2-methyl-4-pyridinyl)ethanol
CID 106756390
(1S,2R)-1-amino-1-(2-bromo-4-pyridinyl)propan-2-ol
CID 130973088
2-amino-2-(2-methyl-4-pyridinyl)ethanol
CID 55292030
(2S)-2-amino-2-(2-methyl-4-pyridinyl)ethanol
CID 55264047
1-(2-methyl-4-pyridinyl)propan-1-amine
CID 55295377
3-amino-1-(2-methyl-4-pyridinyl)propane-1,2-diol
CID 170827559
2-amino-2-(2-methyl-4-pyridinyl)acetaldehyde
CID 87928859
(3,5-dimethylphenyl)-(2-methyl-4-pyridinyl)methanol
CID 106756094
(S)-(2-methyl-4-pyridinyl)-phenylmethanol
CID 122230271
2-methyl-1-(2-methyl-4-pyridinyl)pentan-1-ol
CID 107894619

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-amino-1-(2-methyl-4-pyridinyl)propan-2-ol?
The IUPAC name of (1S,2S)-1-amino-1-(2-methyl-4-pyridinyl)propan-2-ol (CID 55295314) is (1S,2S)-1-amino-1-(2-methyl-4-pyridinyl)propan-2-ol.
What is the SMILES notation for (1S,2S)-1-amino-1-(2-methyl-4-pyridinyl)propan-2-ol?
The canonical SMILES for (1S,2S)-1-amino-1-(2-methyl-4-pyridinyl)propan-2-ol is Cc1cc([C@H](N)[C@H](C)O)ccn1.
What is the InChIKey of (1S,2S)-1-amino-1-(2-methyl-4-pyridinyl)propan-2-ol?
The InChIKey is TUXIUWVWLYMWGK-IONNQARKSA-N. The full InChI is InChI=1S/C9H14N2O/c1-6-5-8(3-4-11-6)9(10)7(2)12/h3-5,7,9,12H,10H2,1-2H3/t7-,9+/m0/s1.
What are the key properties of (1S,2S)-1-amino-1-(2-methyl-4-pyridinyl)propan-2-ol?
(1S,2S)-1-amino-1-(2-methyl-4-pyridinyl)propan-2-ol has a molecular weight of 166.22 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-amino-1-(2-methyl-4-pyridinyl)propan-2-ol is sourced from PubChem (CID 55295314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).