4-[1-hydroxy-2-[(2-hydroxy-1-phenylethyl)amino]ethyl]benzonitrile

C17H18N2O2 — CID 63182883

IUPAC4-[1-hydroxy-2-[(2-hydroxy-1-phenylethyl)amino]ethyl]benzonitrile
SMILESN#Cc1ccc(C(O)CNC(CO)c2ccccc2)cc1
InChIInChI=1S/C17H18N2O2/c18-10-13-6-8-15(9-7-13)17(21)11-19-16(12-20)14-4-2-1-3-5-14/h1-9,16-17,19-21H,11-12H2
InChIKeyUZYIQOVABPUVID-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.91
Rot. Bonds6

About 4-[1-hydroxy-2-[(2-hydroxy-1-phenylethyl)amino]ethyl]benzonitrile

4-[1-hydroxy-2-[(2-hydroxy-1-phenylethyl)amino]ethyl]benzonitrile (PubChem CID 63182883) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-[1-hydroxy-2-[(2-hydroxy-1-phenylethyl)amino]ethyl]benzonitrile.

Molecular Properties

Compound Name4-[1-hydroxy-2-[(2-hydroxy-1-phenylethyl)amino]ethyl]benzonitrile
PubChem CID63182883
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name4-[1-hydroxy-2-[(2-hydroxy-1-phenylethyl)amino]ethyl]benzonitrile
SMILESN#Cc1ccc(C(O)CNC(CO)c2ccccc2)cc1
InChIInChI=1S/C17H18N2O2/c18-10-13-6-8-15(9-7-13)17(21)11-19-16(12-20)14-4-2-1-3-5-14/h1-9,16-17,19-21H,11-12H2
InChIKeyUZYIQOVABPUVID-UHFFFAOYSA-N
XLogP1.91
TPSA76.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-hydroxy-2-[(1-hydroxy-3-methoxypropan-2-yl)amino]ethyl]benzonitrile
CID 106190442
4-[1-hydroxy-2-(methylamino)ethyl]benzonitrile
CID 60904428
4-[2-(dicyclopropylmethylamino)-1-hydroxyethyl]benzonitrile
CID 61479682
4-[1-hydroxy-2-[[(1S)-1-pyridin-3-ylethyl]amino]ethyl]benzonitrile
CID 81403976
2-[(2-hydroxy-1-phenylethyl)amino]-1-(3-methoxyphenyl)ethanol
CID 81134314
2-[(2-hydroxy-2-phenylethyl)amino]propanenitrile
CID 54089481
4-[1-[(2-hydroxy-2-phenylethyl)amino]propyl]phenol
CID 43499212
4-[1-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]ethyl]benzonitrile
CID 60761219
2-[(2-hydroxy-2-phenylethyl)amino]propan-1-ol
CID 60886442
2-[(2-methoxy-1-phenylethyl)amino]-1-phenylethanol
CID 103913587
1-(4-chlorophenyl)-2-(1-phenylpropylamino)ethanol
CID 62304367
1-(2,4-difluorophenyl)-2-[(2-hydroxy-1-phenylethyl)amino]ethanol
CID 63183176

Frequently Asked Questions

What is the IUPAC name of 4-[1-hydroxy-2-[(2-hydroxy-1-phenylethyl)amino]ethyl]benzonitrile?
The IUPAC name of 4-[1-hydroxy-2-[(2-hydroxy-1-phenylethyl)amino]ethyl]benzonitrile (CID 63182883) is 4-[1-hydroxy-2-[(2-hydroxy-1-phenylethyl)amino]ethyl]benzonitrile.
What is the SMILES notation for 4-[1-hydroxy-2-[(2-hydroxy-1-phenylethyl)amino]ethyl]benzonitrile?
The canonical SMILES for 4-[1-hydroxy-2-[(2-hydroxy-1-phenylethyl)amino]ethyl]benzonitrile is N#Cc1ccc(C(O)CNC(CO)c2ccccc2)cc1.
What is the InChIKey of 4-[1-hydroxy-2-[(2-hydroxy-1-phenylethyl)amino]ethyl]benzonitrile?
The InChIKey is UZYIQOVABPUVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c18-10-13-6-8-15(9-7-13)17(21)11-19-16(12-20)14-4-2-1-3-5-14/h1-9,16-17,19-21H,11-12H2.
What are the key properties of 4-[1-hydroxy-2-[(2-hydroxy-1-phenylethyl)amino]ethyl]benzonitrile?
4-[1-hydroxy-2-[(2-hydroxy-1-phenylethyl)amino]ethyl]benzonitrile has a molecular weight of 282.34 g/mol, XLogP of 1.91, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-hydroxy-2-[(2-hydroxy-1-phenylethyl)amino]ethyl]benzonitrile is sourced from PubChem (CID 63182883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).