2-amino-1-(6-methoxy-3-pyridinyl)butan-1-ol

C10H16N2O2 — CID 114937489

IUPAC2-amino-1-(6-methoxy-3-pyridinyl)butan-1-ol
SMILESCCC(N)C(O)c1ccc(OC)nc1
InChIInChI=1S/C10H16N2O2/c1-3-8(11)10(13)7-4-5-9(14-2)12-6-7/h4-6,8,10,13H,3,11H2,1-2H3
InChIKeyGRVALHSBMQGKBG-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.86
Rot. Bonds4

About 2-amino-1-(6-methoxy-3-pyridinyl)butan-1-ol

2-amino-1-(6-methoxy-3-pyridinyl)butan-1-ol (PubChem CID 114937489) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-amino-1-(6-methoxy-3-pyridinyl)butan-1-ol.

Molecular Properties

Compound Name2-amino-1-(6-methoxy-3-pyridinyl)butan-1-ol
PubChem CID114937489
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-amino-1-(6-methoxy-3-pyridinyl)butan-1-ol
SMILESCCC(N)C(O)c1ccc(OC)nc1
InChIInChI=1S/C10H16N2O2/c1-3-8(11)10(13)7-4-5-9(14-2)12-6-7/h4-6,8,10,13H,3,11H2,1-2H3
InChIKeyGRVALHSBMQGKBG-UHFFFAOYSA-N
XLogP0.86
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-methoxy-3-pyridinyl)-2-methylbutan-1-ol
CID 114938063
ethyl (2S,3R)-2-amino-3-hydroxy-3-(6-methoxy-3-pyridinyl)propanoate
CID 124593930
2-methoxy-5-pentan-3-ylpyridine
CID 123545685
(1S)-1-amino-1-(6-methoxy-3-pyridinyl)propan-2-ol
CID 130700644
4-bromo-1-(6-methoxy-3-pyridinyl)butane-1,2-diol
CID 171891786
methyl 2,3-dihydroxy-3-(6-methoxy-3-pyridinyl)propanoate
CID 171863841
bis(6-methoxy-3-pyridinyl)methanol;ethane
CID 145185177
1-(6-methoxy-3-pyridinyl)-2-nitropropan-1-ol
CID 59339701
methyl 2-[hydroxy-(6-methoxy-3-pyridinyl)methyl]hexanoate
CID 114938482
2-methoxy-1-(6-methoxy-3-pyridinyl)ethanol
CID 114937935
3-amino-3-(6-methoxy-3-pyridinyl)propan-1-ol;hydrochloride
CID 170874858
(3S)-3-amino-3-(6-methoxy-3-pyridinyl)-2,2-dimethylpropan-1-ol
CID 171247598

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(6-methoxy-3-pyridinyl)butan-1-ol?
The IUPAC name of 2-amino-1-(6-methoxy-3-pyridinyl)butan-1-ol (CID 114937489) is 2-amino-1-(6-methoxy-3-pyridinyl)butan-1-ol.
What is the SMILES notation for 2-amino-1-(6-methoxy-3-pyridinyl)butan-1-ol?
The canonical SMILES for 2-amino-1-(6-methoxy-3-pyridinyl)butan-1-ol is CCC(N)C(O)c1ccc(OC)nc1.
What is the InChIKey of 2-amino-1-(6-methoxy-3-pyridinyl)butan-1-ol?
The InChIKey is GRVALHSBMQGKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-3-8(11)10(13)7-4-5-9(14-2)12-6-7/h4-6,8,10,13H,3,11H2,1-2H3.
What are the key properties of 2-amino-1-(6-methoxy-3-pyridinyl)butan-1-ol?
2-amino-1-(6-methoxy-3-pyridinyl)butan-1-ol has a molecular weight of 196.25 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(6-methoxy-3-pyridinyl)butan-1-ol is sourced from PubChem (CID 114937489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).