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

C10H16N2O2 — CID 130574391

IUPAC3-amino-2-(3-methoxy-2-pyridinyl)butan-2-ol
SMILESCOc1cccnc1C(C)(O)C(C)N
InChIInChI=1S/C10H16N2O2/c1-7(11)10(2,13)9-8(14-3)5-4-6-12-9/h4-7,13H,11H2,1-3H3
InChIKeyVGQNEHBTBDAWMB-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.64
Rot. Bonds3

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

3-amino-2-(3-methoxy-2-pyridinyl)butan-2-ol (PubChem CID 130574391) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-amino-2-(3-methoxy-2-pyridinyl)butan-2-ol.

Molecular Properties

Compound Name3-amino-2-(3-methoxy-2-pyridinyl)butan-2-ol
PubChem CID130574391
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name3-amino-2-(3-methoxy-2-pyridinyl)butan-2-ol
SMILESCOc1cccnc1C(C)(O)C(C)N
InChIInChI=1S/C10H16N2O2/c1-7(11)10(2,13)9-8(14-3)5-4-6-12-9/h4-7,13H,11H2,1-3H3
InChIKeyVGQNEHBTBDAWMB-UHFFFAOYSA-N
XLogP0.64
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(3-methoxy-2-pyridinyl)-2-methylpropan-1-amine
CID 130691803
2,2-difluoro-1-(3-methoxy-2-pyridinyl)propan-1-amine
CID 130650453
1-(5-fluoro-3-pyridinyl)-1-(3-methoxy-2-pyridinyl)ethanol
CID 114080692
(2R)-2-amino-2-(3-methoxy-2-pyridinyl)ethanol
CID 96850177
2-amino-2-(3-methoxy-2-pyridinyl)acetic acid
CID 55295273
3-amino-2-pyridin-3-ylbutan-2-ol
CID 82414167
(1S)-1-[2-(2-methoxyphenoxy)-3-pyridinyl]ethanamine
CID 114056631
3-amino-1,1,1-trifluoro-2-(3-methoxypyrazin-2-yl)butan-2-ol
CID 113421686
1-(2-methoxyphenyl)-1-(3-methoxypyrazin-2-yl)ethanol
CID 104514450
1-N-(3-methoxy-2-pyridinyl)-1-N-methylpropane-1,2-diamine
CID 83831005
2-(dichloromethyl)-3-methoxypyridine
CID 141354456
(3-methoxy-2-pyridinyl)methanamine
CID 45079526

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-methoxy-2-pyridinyl)butan-2-ol?
The IUPAC name of 3-amino-2-(3-methoxy-2-pyridinyl)butan-2-ol (CID 130574391) is 3-amino-2-(3-methoxy-2-pyridinyl)butan-2-ol.
What is the SMILES notation for 3-amino-2-(3-methoxy-2-pyridinyl)butan-2-ol?
The canonical SMILES for 3-amino-2-(3-methoxy-2-pyridinyl)butan-2-ol is COc1cccnc1C(C)(O)C(C)N.
What is the InChIKey of 3-amino-2-(3-methoxy-2-pyridinyl)butan-2-ol?
The InChIKey is VGQNEHBTBDAWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-7(11)10(2,13)9-8(14-3)5-4-6-12-9/h4-7,13H,11H2,1-3H3.
What are the key properties of 3-amino-2-(3-methoxy-2-pyridinyl)butan-2-ol?
3-amino-2-(3-methoxy-2-pyridinyl)butan-2-ol has a molecular weight of 196.25 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3-methoxy-2-pyridinyl)butan-2-ol is sourced from PubChem (CID 130574391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).