2-[(2-hydroxy-2-phenylethyl)amino]benzonitrile

C15H14N2O — CID 43393096

IUPAC2-[(2-hydroxy-2-phenylethyl)amino]benzonitrile
SMILESN#Cc1ccccc1NCC(O)c1ccccc1
InChIInChI=1S/C15H14N2O/c16-10-13-8-4-5-9-14(13)17-11-15(18)12-6-2-1-3-7-12/h1-9,15,17-18H,11H2
InChIKeySSGGPPWRBZWVRB-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.70
Rot. Bonds4

About 2-[(2-hydroxy-2-phenylethyl)amino]benzonitrile

2-[(2-hydroxy-2-phenylethyl)amino]benzonitrile (PubChem CID 43393096) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[(2-hydroxy-2-phenylethyl)amino]benzonitrile.

Molecular Properties

Compound Name2-[(2-hydroxy-2-phenylethyl)amino]benzonitrile
PubChem CID43393096
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name2-[(2-hydroxy-2-phenylethyl)amino]benzonitrile
SMILESN#Cc1ccccc1NCC(O)c1ccccc1
InChIInChI=1S/C15H14N2O/c16-10-13-8-4-5-9-14(13)17-11-15(18)12-6-2-1-3-7-12/h1-9,15,17-18H,11H2
InChIKeySSGGPPWRBZWVRB-UHFFFAOYSA-N
XLogP2.70
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-[(2-hydroxy-2-phenylethyl)amino]benzonitrile
CID 82708510
2-bromo-4-[(2-hydroxy-2-phenylethyl)amino]benzonitrile
CID 107280291
2-(3-hydroxybutylamino)benzonitrile
CID 64910857
5-[(2-hydroxy-2-phenylethyl)amino]-2-nitrobenzonitrile
CID 115500143
4-bromo-2-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]benzonitrile
CID 107798011
(1R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]-1-phenylethanol
CID 902475
2-[(2-hydroxy-2-phenylpropyl)amino]benzonitrile
CID 55068379
2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]benzonitrile
CID 60896826
(1S)-2-(2,4-dinitroanilino)-1-phenylethanol
CID 9311814
2-[(2-hydroxy-2-phenylethyl)amino]propanenitrile
CID 54089481
2-(2,4-difluoroanilino)-1-phenylethanol
CID 60721673
2-[2-[(2-cyanoanilino)methyl]phenyl]acetic acid
CID 81317628

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-2-phenylethyl)amino]benzonitrile?
The IUPAC name of 2-[(2-hydroxy-2-phenylethyl)amino]benzonitrile (CID 43393096) is 2-[(2-hydroxy-2-phenylethyl)amino]benzonitrile.
What is the SMILES notation for 2-[(2-hydroxy-2-phenylethyl)amino]benzonitrile?
The canonical SMILES for 2-[(2-hydroxy-2-phenylethyl)amino]benzonitrile is N#Cc1ccccc1NCC(O)c1ccccc1.
What is the InChIKey of 2-[(2-hydroxy-2-phenylethyl)amino]benzonitrile?
The InChIKey is SSGGPPWRBZWVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c16-10-13-8-4-5-9-14(13)17-11-15(18)12-6-2-1-3-7-12/h1-9,15,17-18H,11H2.
What are the key properties of 2-[(2-hydroxy-2-phenylethyl)amino]benzonitrile?
2-[(2-hydroxy-2-phenylethyl)amino]benzonitrile has a molecular weight of 238.29 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-2-phenylethyl)amino]benzonitrile is sourced from PubChem (CID 43393096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).