1-amino-3-(5-methyl-2-pyridinyl)propan-2-ol

C9H14N2O — CID 83442584

IUPAC1-amino-3-(5-methyl-2-pyridinyl)propan-2-ol
SMILESCc1ccc(CC(O)CN)nc1
InChIInChI=1S/C9H14N2O/c1-7-2-3-8(11-6-7)4-9(12)5-10/h2-3,6,9,12H,4-5,10H2,1H3
InChIKeyDWTFTBCRRFYQKL-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.25
Rot. Bonds3

About 1-amino-3-(5-methyl-2-pyridinyl)propan-2-ol

1-amino-3-(5-methyl-2-pyridinyl)propan-2-ol (PubChem CID 83442584) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-amino-3-(5-methyl-2-pyridinyl)propan-2-ol.

Molecular Properties

Compound Name1-amino-3-(5-methyl-2-pyridinyl)propan-2-ol
PubChem CID83442584
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name1-amino-3-(5-methyl-2-pyridinyl)propan-2-ol
SMILESCc1ccc(CC(O)CN)nc1
InChIInChI=1S/C9H14N2O/c1-7-2-3-8(11-6-7)4-9(12)5-10/h2-3,6,9,12H,4-5,10H2,1H3
InChIKeyDWTFTBCRRFYQKL-UHFFFAOYSA-N
XLogP0.25
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-methyl-2-pyridinyl)-3-methylsulfonylpropan-2-ol
CID 66460328
2-(aminomethyl)-N-tert-butyl-3-(5-methyl-2-pyridinyl)propanamide
CID 81312245
3,3-dimethyl-1-(5-methyl-2-pyridinyl)pentan-2-ol
CID 66459924
1-(5-methyl-2-pyridinyl)-4-phenylbutan-2-ol
CID 66458905
5-methyl-2-[(2S)-2-methylbutyl]pyridine
CID 118944951
1-(5-ethyl-2-pyridinyl)-4-(4-methylphenyl)butan-2-ol
CID 105115083
(3E)-3-ethenyl-1-(5-methyl-2-pyridinyl)hexa-3,5-dien-2-ol
CID 144927481
1,1-dicyclopropyl-3-(5-methyl-2-pyridinyl)propan-2-ol
CID 112745195
1-(4-iodophenyl)-2-(5-methyl-2-pyridinyl)ethanol
CID 66460323
(5-methyl-2-pyridinyl)methanolate
CID 153447855
1-(5-methyl-2-pyridinyl)-4-(oxolan-2-yl)butan-2-ol
CID 66461132
5-methyl-2-[2-(5-methyl-2-pyridinyl)ethyl]pyridine
CID 86125862

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(5-methyl-2-pyridinyl)propan-2-ol?
The IUPAC name of 1-amino-3-(5-methyl-2-pyridinyl)propan-2-ol (CID 83442584) is 1-amino-3-(5-methyl-2-pyridinyl)propan-2-ol.
What is the SMILES notation for 1-amino-3-(5-methyl-2-pyridinyl)propan-2-ol?
The canonical SMILES for 1-amino-3-(5-methyl-2-pyridinyl)propan-2-ol is Cc1ccc(CC(O)CN)nc1.
What is the InChIKey of 1-amino-3-(5-methyl-2-pyridinyl)propan-2-ol?
The InChIKey is DWTFTBCRRFYQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-7-2-3-8(11-6-7)4-9(12)5-10/h2-3,6,9,12H,4-5,10H2,1H3.
What are the key properties of 1-amino-3-(5-methyl-2-pyridinyl)propan-2-ol?
1-amino-3-(5-methyl-2-pyridinyl)propan-2-ol has a molecular weight of 166.22 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(5-methyl-2-pyridinyl)propan-2-ol is sourced from PubChem (CID 83442584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).