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

C15H17ClN2O2 — CID 80527014

IUPAC3-amino-1-(4-chloro-2-methoxyphenyl)-2-pyridin-2-ylpropan-1-ol
SMILESCOc1cc(Cl)ccc1C(O)C(CN)c1ccccn1
InChIInChI=1S/C15H17ClN2O2/c1-20-14-8-10(16)5-6-11(14)15(19)12(9-17)13-4-2-3-7-18-13/h2-8,12,15,19H,9,17H2,1H3
InChIKeyAHKFWKFRJRVZME-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.52
Rot. Bonds5

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

3-amino-1-(4-chloro-2-methoxyphenyl)-2-pyridin-2-ylpropan-1-ol (PubChem CID 80527014) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 3-amino-1-(4-chloro-2-methoxyphenyl)-2-pyridin-2-ylpropan-1-ol.

Molecular Properties

Compound Name3-amino-1-(4-chloro-2-methoxyphenyl)-2-pyridin-2-ylpropan-1-ol
PubChem CID80527014
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name3-amino-1-(4-chloro-2-methoxyphenyl)-2-pyridin-2-ylpropan-1-ol
SMILESCOc1cc(Cl)ccc1C(O)C(CN)c1ccccn1
InChIInChI=1S/C15H17ClN2O2/c1-20-14-8-10(16)5-6-11(14)15(19)12(9-17)13-4-2-3-7-18-13/h2-8,12,15,19H,9,17H2,1H3
InChIKeyAHKFWKFRJRVZME-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-(2-methoxyphenyl)-2-pyridin-2-ylpropan-1-ol
CID 80527197
3-amino-1-(4-chloro-2-methoxyphenyl)-2-pyridin-4-ylpropan-1-ol
CID 80525805
3-amino-1-(4-chloro-2-methoxyphenyl)-2-(3-chlorophenyl)propan-1-ol
CID 65186666
2-[1-bromo-1-(4-chloro-2-methoxyphenyl)propan-2-yl]pyridine
CID 66453990
2-(aminomethyl)-1-(4-chloro-2-methoxyphenyl)butan-1-ol
CID 65188070
3-amino-1-(2,3-dimethylphenyl)-2-pyridin-2-ylpropan-1-ol
CID 80527108
1-(5-chloro-2-methoxyphenyl)-2-pyridin-2-ylpropan-1-one
CID 66448751
3-amino-1-(5-chloro-2-methoxyphenyl)-2-pyridin-4-ylpropan-1-ol
CID 80525686
3-amino-1-(4-methylthiophen-3-yl)-2-pyridin-2-ylpropan-1-ol
CID 80525924
3-amino-2-(5-chloro-2-methoxyphenyl)-1-pyridin-4-ylpropan-1-ol
CID 65190567
3-amino-1-(5-chlorothiophen-2-yl)-2-pyridin-2-ylpropan-1-ol
CID 80526991
(2,4-dimethoxyphenyl)-pyridin-2-ylmethanol
CID 62801796

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-chloro-2-methoxyphenyl)-2-pyridin-2-ylpropan-1-ol?
The IUPAC name of 3-amino-1-(4-chloro-2-methoxyphenyl)-2-pyridin-2-ylpropan-1-ol (CID 80527014) is 3-amino-1-(4-chloro-2-methoxyphenyl)-2-pyridin-2-ylpropan-1-ol.
What is the SMILES notation for 3-amino-1-(4-chloro-2-methoxyphenyl)-2-pyridin-2-ylpropan-1-ol?
The canonical SMILES for 3-amino-1-(4-chloro-2-methoxyphenyl)-2-pyridin-2-ylpropan-1-ol is COc1cc(Cl)ccc1C(O)C(CN)c1ccccn1.
What is the InChIKey of 3-amino-1-(4-chloro-2-methoxyphenyl)-2-pyridin-2-ylpropan-1-ol?
The InChIKey is AHKFWKFRJRVZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-20-14-8-10(16)5-6-11(14)15(19)12(9-17)13-4-2-3-7-18-13/h2-8,12,15,19H,9,17H2,1H3.
What are the key properties of 3-amino-1-(4-chloro-2-methoxyphenyl)-2-pyridin-2-ylpropan-1-ol?
3-amino-1-(4-chloro-2-methoxyphenyl)-2-pyridin-2-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-1-(4-chloro-2-methoxyphenyl)-2-pyridin-2-ylpropan-1-ol is sourced from PubChem (CID 80527014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).