3-phenyl-2-(pyridin-3-ylmethylamino)propan-1-ol

C15H18N2O — CID 63260593

IUPAC3-phenyl-2-(pyridin-3-ylmethylamino)propan-1-ol
SMILESOCC(Cc1ccccc1)NCc1cccnc1
InChIInChI=1S/C15H18N2O/c18-12-15(9-13-5-2-1-3-6-13)17-11-14-7-4-8-16-10-14/h1-8,10,15,17-18H,9,11-12H2
InChIKeyGHWPCZMIBFWYBI-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.77
Rot. Bonds6

About 3-phenyl-2-(pyridin-3-ylmethylamino)propan-1-ol

3-phenyl-2-(pyridin-3-ylmethylamino)propan-1-ol (PubChem CID 63260593) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-phenyl-2-(pyridin-3-ylmethylamino)propan-1-ol.

Molecular Properties

Compound Name3-phenyl-2-(pyridin-3-ylmethylamino)propan-1-ol
PubChem CID63260593
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name3-phenyl-2-(pyridin-3-ylmethylamino)propan-1-ol
SMILESOCC(Cc1ccccc1)NCc1cccnc1
InChIInChI=1S/C15H18N2O/c18-12-15(9-13-5-2-1-3-6-13)17-11-14-7-4-8-16-10-14/h1-8,10,15,17-18H,9,11-12H2
InChIKeyGHWPCZMIBFWYBI-UHFFFAOYSA-N
XLogP1.77
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-pyridin-3-ylacetamide
CID 102673691
4-[[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]phenol
CID 102809787
(2S)-2-(1H-imidazol-5-ylmethylamino)-3-phenylpropan-1-ol
CID 102610097
(2R)-2-[(3-methylimidazol-4-yl)methylamino]-3-phenylpropan-1-ol
CID 104922833
N-(pyridin-3-ylmethyl)heptan-4-amine
CID 28671703
2-[(1-ethylpyrazol-4-yl)methylamino]-3-phenylpropan-1-ol
CID 63261204
(2S)-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-3-phenylpropan-1-ol
CID 107862327
(2R)-3-phenyl-2-[(1-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol
CID 104922922
(2S)-2-[(2-chlorophenyl)methylamino]-3-phenylpropan-1-ol
CID 6612703
2-[(2,6-dichlorophenyl)methylamino]-3-phenylpropan-1-ol
CID 63260434
2-(benzylamino)-3-[4-(dimethylamino)phenyl]propan-1-ol
CID 66523313
(2R)-2-[(4-ethenylphenyl)methylamino]-3-phenylpropan-1-ol
CID 101210967

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-(pyridin-3-ylmethylamino)propan-1-ol?
The IUPAC name of 3-phenyl-2-(pyridin-3-ylmethylamino)propan-1-ol (CID 63260593) is 3-phenyl-2-(pyridin-3-ylmethylamino)propan-1-ol.
What is the SMILES notation for 3-phenyl-2-(pyridin-3-ylmethylamino)propan-1-ol?
The canonical SMILES for 3-phenyl-2-(pyridin-3-ylmethylamino)propan-1-ol is OCC(Cc1ccccc1)NCc1cccnc1.
What is the InChIKey of 3-phenyl-2-(pyridin-3-ylmethylamino)propan-1-ol?
The InChIKey is GHWPCZMIBFWYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c18-12-15(9-13-5-2-1-3-6-13)17-11-14-7-4-8-16-10-14/h1-8,10,15,17-18H,9,11-12H2.
What are the key properties of 3-phenyl-2-(pyridin-3-ylmethylamino)propan-1-ol?
3-phenyl-2-(pyridin-3-ylmethylamino)propan-1-ol has a molecular weight of 242.32 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-(pyridin-3-ylmethylamino)propan-1-ol is sourced from PubChem (CID 63260593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).