3-amino-1-(2-chlorophenyl)-2-pyridin-3-ylpropan-1-ol

C14H15ClN2O — CID 80523261

IUPAC3-amino-1-(2-chlorophenyl)-2-pyridin-3-ylpropan-1-ol
SMILESNCC(c1cccnc1)C(O)c1ccccc1Cl
InChIInChI=1S/C14H15ClN2O/c15-13-6-2-1-5-11(13)14(18)12(8-16)10-4-3-7-17-9-10/h1-7,9,12,14,18H,8,16H2
InChIKeyGSCTVDGQMASHGE-UHFFFAOYSA-N
MW262.74 g/mol
LogP2.51
Rot. Bonds4

About 3-amino-1-(2-chlorophenyl)-2-pyridin-3-ylpropan-1-ol

3-amino-1-(2-chlorophenyl)-2-pyridin-3-ylpropan-1-ol (PubChem CID 80523261) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 3-amino-1-(2-chlorophenyl)-2-pyridin-3-ylpropan-1-ol.

Molecular Properties

Compound Name3-amino-1-(2-chlorophenyl)-2-pyridin-3-ylpropan-1-ol
PubChem CID80523261
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name3-amino-1-(2-chlorophenyl)-2-pyridin-3-ylpropan-1-ol
SMILESNCC(c1cccnc1)C(O)c1ccccc1Cl
InChIInChI=1S/C14H15ClN2O/c15-13-6-2-1-5-11(13)14(18)12(8-16)10-4-3-7-17-9-10/h1-7,9,12,14,18H,8,16H2
InChIKeyGSCTVDGQMASHGE-UHFFFAOYSA-N
XLogP2.51
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(3-chloro-2-fluorophenyl)-2-pyridin-3-ylpropan-1-ol
CID 81262776
3-amino-1-(2-chlorophenyl)-2-pyridin-4-ylpropan-1-ol
CID 80525726
3-amino-2-pyridin-3-yl-1-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 80522600
3-amino-1-(2,5-difluorophenyl)-2-pyridin-3-ylpropan-1-ol
CID 80523241
3-amino-1-pyridin-3-yl-2-pyridin-4-ylpropan-1-ol
CID 80525679
3-amino-1-(2-chlorophenyl)-2-(3,5-difluorophenyl)propan-1-ol
CID 65189186
3-amino-2-(2-chlorophenyl)-1-phenylpropan-1-ol
CID 65184557
3-amino-1-(2-chlorophenyl)-2-(2,6-dichlorophenyl)propan-1-ol
CID 65184824
3-amino-2-(2-chlorophenyl)-1-pyrimidin-2-ylpropan-1-ol
CID 114552977
3-amino-1-(2-chlorophenyl)-2-methylpropan-1-ol
CID 60734098
3-amino-1-(4-tert-butylphenyl)-2-pyridin-3-ylpropan-1-ol
CID 80522541
3-amino-1-(2-chloro-4-fluorophenyl)-2-phenylpropan-1-ol
CID 65186297

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-chlorophenyl)-2-pyridin-3-ylpropan-1-ol?
The IUPAC name of 3-amino-1-(2-chlorophenyl)-2-pyridin-3-ylpropan-1-ol (CID 80523261) is 3-amino-1-(2-chlorophenyl)-2-pyridin-3-ylpropan-1-ol.
What is the SMILES notation for 3-amino-1-(2-chlorophenyl)-2-pyridin-3-ylpropan-1-ol?
The canonical SMILES for 3-amino-1-(2-chlorophenyl)-2-pyridin-3-ylpropan-1-ol is NCC(c1cccnc1)C(O)c1ccccc1Cl.
What is the InChIKey of 3-amino-1-(2-chlorophenyl)-2-pyridin-3-ylpropan-1-ol?
The InChIKey is GSCTVDGQMASHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c15-13-6-2-1-5-11(13)14(18)12(8-16)10-4-3-7-17-9-10/h1-7,9,12,14,18H,8,16H2.
What are the key properties of 3-amino-1-(2-chlorophenyl)-2-pyridin-3-ylpropan-1-ol?
3-amino-1-(2-chlorophenyl)-2-pyridin-3-ylpropan-1-ol has a molecular weight of 262.74 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-chlorophenyl)-2-pyridin-3-ylpropan-1-ol is sourced from PubChem (CID 80523261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).