3-amino-2-(5-chloro-2-methoxyphenyl)-1-pyridin-4-ylpropan-1-ol

C15H17ClN2O2 — CID 65190567

IUPAC3-amino-2-(5-chloro-2-methoxyphenyl)-1-pyridin-4-ylpropan-1-ol
SMILESCOc1ccc(Cl)cc1C(CN)C(O)c1ccncc1
InChIInChI=1S/C15H17ClN2O2/c1-20-14-3-2-11(16)8-12(14)13(9-17)15(19)10-4-6-18-7-5-10/h2-8,13,15,19H,9,17H2,1H3
InChIKeyNILUGWLGIRWHDT-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.52
Rot. Bonds5

About 3-amino-2-(5-chloro-2-methoxyphenyl)-1-pyridin-4-ylpropan-1-ol

3-amino-2-(5-chloro-2-methoxyphenyl)-1-pyridin-4-ylpropan-1-ol (PubChem CID 65190567) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 3-amino-2-(5-chloro-2-methoxyphenyl)-1-pyridin-4-ylpropan-1-ol.

Molecular Properties

Compound Name3-amino-2-(5-chloro-2-methoxyphenyl)-1-pyridin-4-ylpropan-1-ol
PubChem CID65190567
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name3-amino-2-(5-chloro-2-methoxyphenyl)-1-pyridin-4-ylpropan-1-ol
SMILESCOc1ccc(Cl)cc1C(CN)C(O)c1ccncc1
InChIInChI=1S/C15H17ClN2O2/c1-20-14-3-2-11(16)8-12(14)13(9-17)15(19)10-4-6-18-7-5-10/h2-8,13,15,19H,9,17H2,1H3
InChIKeyNILUGWLGIRWHDT-UHFFFAOYSA-N
XLogP2.52
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-(5-chloro-2-methoxyphenyl)-2-pyridin-4-ylpropan-1-ol
CID 80525686
3-amino-1-(4-chloro-2-methoxyphenyl)-2-pyridin-4-ylpropan-1-ol
CID 80525805
3-amino-2-(5-chloro-2-methoxyphenyl)-1-(3-fluorophenyl)propan-1-ol
CID 65190720
3-amino-2-(5-chloro-2-methoxyphenyl)-1-thiophen-2-ylpropan-1-ol
CID 65190060
4-amino-3-(5-chloro-2-methoxyphenyl)-1,1,1-trifluorobutan-2-ol
CID 65190623
1-(5-chloro-2-methoxyphenyl)-2-pyridin-4-ylethanol
CID 55116184
3-amino-2-(5-chloro-2-methoxyphenyl)-1-(5-ethylfuran-2-yl)propan-1-ol
CID 79086034
4-amino-3-(5-chloro-2-methoxyphenyl)-1-cyclopropylbutan-2-ol
CID 65189958
3-amino-2-(5-chloro-2-methoxyphenyl)-1-(oxan-4-yl)propan-1-ol
CID 65189959
1-amino-2-(5-chloro-2-methoxyphenyl)octan-3-ol
CID 65190622
3-amino-1-(2,4-dichlorophenyl)-2-pyridin-4-ylpropan-1-ol
CID 80525799
3-amino-1-(4-bromophenyl)-2-(2-methoxy-5-methylphenyl)propan-1-ol
CID 65185329

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(5-chloro-2-methoxyphenyl)-1-pyridin-4-ylpropan-1-ol?
The IUPAC name of 3-amino-2-(5-chloro-2-methoxyphenyl)-1-pyridin-4-ylpropan-1-ol (CID 65190567) is 3-amino-2-(5-chloro-2-methoxyphenyl)-1-pyridin-4-ylpropan-1-ol.
What is the SMILES notation for 3-amino-2-(5-chloro-2-methoxyphenyl)-1-pyridin-4-ylpropan-1-ol?
The canonical SMILES for 3-amino-2-(5-chloro-2-methoxyphenyl)-1-pyridin-4-ylpropan-1-ol is COc1ccc(Cl)cc1C(CN)C(O)c1ccncc1.
What is the InChIKey of 3-amino-2-(5-chloro-2-methoxyphenyl)-1-pyridin-4-ylpropan-1-ol?
The InChIKey is NILUGWLGIRWHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-20-14-3-2-11(16)8-12(14)13(9-17)15(19)10-4-6-18-7-5-10/h2-8,13,15,19H,9,17H2,1H3.
What are the key properties of 3-amino-2-(5-chloro-2-methoxyphenyl)-1-pyridin-4-ylpropan-1-ol?
3-amino-2-(5-chloro-2-methoxyphenyl)-1-pyridin-4-ylpropan-1-ol has a molecular weight of 292.77 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(5-chloro-2-methoxyphenyl)-1-pyridin-4-ylpropan-1-ol is sourced from PubChem (CID 65190567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).