2-(2-phenylethylamino)-1-pyridin-3-ylethanol

C15H18N2O — CID 20826867

IUPAC2-(2-phenylethylamino)-1-pyridin-3-ylethanol
SMILESOC(CNCCc1ccccc1)c1cccnc1
InChIInChI=1S/C15H18N2O/c18-15(14-7-4-9-16-11-14)12-17-10-8-13-5-2-1-3-6-13/h1-7,9,11,15,17-18H,8,10,12H2
InChIKeyWZANIDHSMILRAZ-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.95
Rot. Bonds6

About 2-(2-phenylethylamino)-1-pyridin-3-ylethanol

2-(2-phenylethylamino)-1-pyridin-3-ylethanol (PubChem CID 20826867) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-(2-phenylethylamino)-1-pyridin-3-ylethanol.

Molecular Properties

Compound Name2-(2-phenylethylamino)-1-pyridin-3-ylethanol
PubChem CID20826867
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name2-(2-phenylethylamino)-1-pyridin-3-ylethanol
SMILESOC(CNCCc1ccccc1)c1cccnc1
InChIInChI=1S/C15H18N2O/c18-15(14-7-4-9-16-11-14)12-17-10-8-13-5-2-1-3-6-13/h1-7,9,11,15,17-18H,8,10,12H2
InChIKeyWZANIDHSMILRAZ-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 123984244
(1R)-2-phenyl-1-pyridin-3-ylethanol
CID 93312258
1-[4-[[4-[2-[(2-hydroxy-2-pyridin-3-ylethyl)amino]ethyl]phenyl]sulfamoyl]phenyl]-3-(2-phenylethyl)urea
CID 19420719
4-[4-[2-[[(2S)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-3-methylbenzoic acid
CID 69051953
(2-hydroxy-2-pyridin-3-ylethyl)carbamic acid
CID 21105805
1-(4-methylphenyl)-2-(2-phenylethylamino)ethanol
CID 112501683
(1R)-2-[2-[4-(cyclohexylsulfamoylamino)phenyl]ethylamino]-1-pyridin-3-ylethanol;dihydrochloride
CID 45261523
N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-pyrazol-1-ylpropanamide
CID 46881840
(1S)-2-(methylamino)-1-pyridin-3-ylethanol
CID 10171254
3-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]-4-phenylbenzamide
CID 69352698
(1R)-2-[2-[4-[[(Z)-1-(naphthalen-2-ylamino)-2-nitroethenyl]amino]phenyl]ethylamino]-1-pyridin-3-ylethanol
CID 10162241
N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 46881616

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethylamino)-1-pyridin-3-ylethanol?
The IUPAC name of 2-(2-phenylethylamino)-1-pyridin-3-ylethanol (CID 20826867) is 2-(2-phenylethylamino)-1-pyridin-3-ylethanol.
What is the SMILES notation for 2-(2-phenylethylamino)-1-pyridin-3-ylethanol?
The canonical SMILES for 2-(2-phenylethylamino)-1-pyridin-3-ylethanol is OC(CNCCc1ccccc1)c1cccnc1.
What is the InChIKey of 2-(2-phenylethylamino)-1-pyridin-3-ylethanol?
The InChIKey is WZANIDHSMILRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c18-15(14-7-4-9-16-11-14)12-17-10-8-13-5-2-1-3-6-13/h1-7,9,11,15,17-18H,8,10,12H2.
What are the key properties of 2-(2-phenylethylamino)-1-pyridin-3-ylethanol?
2-(2-phenylethylamino)-1-pyridin-3-ylethanol has a molecular weight of 242.32 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethylamino)-1-pyridin-3-ylethanol is sourced from PubChem (CID 20826867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).