3-amino-1-phenyl-2-pyridin-4-ylpropan-1-ol

C14H16N2O — CID 80525677

IUPAC3-amino-1-phenyl-2-pyridin-4-ylpropan-1-ol
SMILESNCC(c1ccncc1)C(O)c1ccccc1
InChIInChI=1S/C14H16N2O/c15-10-13(11-6-8-16-9-7-11)14(17)12-4-2-1-3-5-12/h1-9,13-14,17H,10,15H2
InChIKeyXQKQNTHEINFAAW-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.86
Rot. Bonds4

About 3-amino-1-phenyl-2-pyridin-4-ylpropan-1-ol

3-amino-1-phenyl-2-pyridin-4-ylpropan-1-ol (PubChem CID 80525677) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 3-amino-1-phenyl-2-pyridin-4-ylpropan-1-ol.

Molecular Properties

Compound Name3-amino-1-phenyl-2-pyridin-4-ylpropan-1-ol
PubChem CID80525677
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name3-amino-1-phenyl-2-pyridin-4-ylpropan-1-ol
SMILESNCC(c1ccncc1)C(O)c1ccccc1
InChIInChI=1S/C14H16N2O/c15-10-13(11-6-8-16-9-7-11)14(17)12-4-2-1-3-5-12/h1-9,13-14,17H,10,15H2
InChIKeyXQKQNTHEINFAAW-UHFFFAOYSA-N
XLogP1.86
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-pyridin-3-yl-2-pyridin-4-ylpropan-1-ol
CID 80525679
3-amino-2-(4-methylphenyl)-1-pyridin-4-ylpropan-1-ol
CID 65188149
3-amino-2-(3-methylphenyl)-1-pyridin-4-ylpropan-1-ol
CID 65188105
3-amino-2-naphthalen-2-yl-1-pyridin-4-ylpropan-1-ol;hydrochloride
CID 118675600
3-amino-1-(2-chlorophenyl)-2-pyridin-4-ylpropan-1-ol
CID 80525726
3-amino-2-pyridin-4-yl-1-thiophen-2-ylpropan-1-ol
CID 80525921
3-amino-2-(2-chlorophenyl)-1-phenylpropan-1-ol
CID 65184557
3-amino-1-phenyl-2-thiophen-2-ylpropan-1-ol
CID 65190294
3-amino-1-(3-bromo-5-fluorophenyl)-2-pyridin-4-ylpropan-1-ol
CID 80525918
3-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-4-ylpropan-1-ol
CID 80525401
3-amino-1-(2,4-dichlorophenyl)-2-pyridin-4-ylpropan-1-ol
CID 80525799
3-amino-1-(4-tert-butylphenyl)-2-pyridin-3-ylpropan-1-ol
CID 80522541

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-phenyl-2-pyridin-4-ylpropan-1-ol?
The IUPAC name of 3-amino-1-phenyl-2-pyridin-4-ylpropan-1-ol (CID 80525677) is 3-amino-1-phenyl-2-pyridin-4-ylpropan-1-ol.
What is the SMILES notation for 3-amino-1-phenyl-2-pyridin-4-ylpropan-1-ol?
The canonical SMILES for 3-amino-1-phenyl-2-pyridin-4-ylpropan-1-ol is NCC(c1ccncc1)C(O)c1ccccc1.
What is the InChIKey of 3-amino-1-phenyl-2-pyridin-4-ylpropan-1-ol?
The InChIKey is XQKQNTHEINFAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c15-10-13(11-6-8-16-9-7-11)14(17)12-4-2-1-3-5-12/h1-9,13-14,17H,10,15H2.
What are the key properties of 3-amino-1-phenyl-2-pyridin-4-ylpropan-1-ol?
3-amino-1-phenyl-2-pyridin-4-ylpropan-1-ol has a molecular weight of 228.30 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-phenyl-2-pyridin-4-ylpropan-1-ol is sourced from PubChem (CID 80525677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).