3-amino-3-(6-methoxy-3-pyridinyl)propan-1-ol;hydrochloride

C9H15ClN2O2 — CID 170874858

IUPAC3-amino-3-(6-methoxy-3-pyridinyl)propan-1-ol;hydrochloride
SMILESCOc1ccc(C(N)CCO)cn1.Cl
InChIInChI=1S/C9H14N2O2.ClH/c1-13-9-3-2-7(6-11-9)8(10)4-5-12;/h2-3,6,8,12H,4-5,10H2,1H3;1H
InChIKeySPYQGWDWPOXPMF-UHFFFAOYSA-N
MW218.68 g/mol
LogP0.89
Rot. Bonds4

About 3-amino-3-(6-methoxy-3-pyridinyl)propan-1-ol;hydrochloride

3-amino-3-(6-methoxy-3-pyridinyl)propan-1-ol;hydrochloride (PubChem CID 170874858) has the molecular formula C9H15ClN2O2 and a molecular weight of 218.68 g/mol. Its IUPAC name is 3-amino-3-(6-methoxy-3-pyridinyl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name3-amino-3-(6-methoxy-3-pyridinyl)propan-1-ol;hydrochloride
PubChem CID170874858
Molecular FormulaC9H15ClN2O2
Molecular Weight218.68 g/mol
Exact Mass218.08
IUPAC Name3-amino-3-(6-methoxy-3-pyridinyl)propan-1-ol;hydrochloride
SMILESCOc1ccc(C(N)CCO)cn1.Cl
InChIInChI=1S/C9H14N2O2.ClH/c1-13-9-3-2-7(6-11-9)8(10)4-5-12;/h2-3,6,8,12H,4-5,10H2,1H3;1H
InChIKeySPYQGWDWPOXPMF-UHFFFAOYSA-N
XLogP0.89
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.68
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(6-methoxy-3-pyridinyl)propane-1,3-diamine;hydrochloride
CID 171203594
(3S)-3-amino-3-(6-ethoxy-3-pyridinyl)propan-1-ol
CID 55269772
(1R)-1-(6-methoxy-3-pyridinyl)butane-1,4-diamine;hydrochloride
CID 171203596
(1R)-1-(6-methoxy-3-pyridinyl)pentan-1-amine
CID 55278684
4-amino-3-(6-methoxy-3-pyridinyl)butan-1-ol
CID 114938817
3-amino-3-(6-phenoxy-3-pyridinyl)propan-1-ol;hydrochloride
CID 170875135
(3R)-3-amino-3-(6-bromo-3-pyridinyl)propan-1-ol;hydrochloride
CID 171203341
(1R)-3,3-difluoro-1-(6-methoxy-3-pyridinyl)propan-1-amine;hydrochloride
CID 171313628
3-amino-3-(5-methoxypyrazin-2-yl)propan-1-ol
CID 83828613
(3S)-3-amino-3-(6-methoxy-3-pyridinyl)propanoic acid
CID 7016830
3-amino-3-(6-methoxy-3-pyridinyl)propanoic acid
CID 18000263
(3S)-3-amino-3-(6-methoxy-3-pyridinyl)-2,2-dimethylpropan-1-ol
CID 171247598

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(6-methoxy-3-pyridinyl)propan-1-ol;hydrochloride?
The IUPAC name of 3-amino-3-(6-methoxy-3-pyridinyl)propan-1-ol;hydrochloride (CID 170874858) is 3-amino-3-(6-methoxy-3-pyridinyl)propan-1-ol;hydrochloride.
What is the SMILES notation for 3-amino-3-(6-methoxy-3-pyridinyl)propan-1-ol;hydrochloride?
The canonical SMILES for 3-amino-3-(6-methoxy-3-pyridinyl)propan-1-ol;hydrochloride is COc1ccc(C(N)CCO)cn1.Cl.
What is the InChIKey of 3-amino-3-(6-methoxy-3-pyridinyl)propan-1-ol;hydrochloride?
The InChIKey is SPYQGWDWPOXPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2.ClH/c1-13-9-3-2-7(6-11-9)8(10)4-5-12;/h2-3,6,8,12H,4-5,10H2,1H3;1H.
What are the key properties of 3-amino-3-(6-methoxy-3-pyridinyl)propan-1-ol;hydrochloride?
3-amino-3-(6-methoxy-3-pyridinyl)propan-1-ol;hydrochloride has a molecular weight of 218.68 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(6-methoxy-3-pyridinyl)propan-1-ol;hydrochloride is sourced from PubChem (CID 170874858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).