4-[2-[(2-fluorophenyl)methylamino]-1-hydroxyethyl]benzonitrile

C16H15FN2O — CID 60899902

IUPAC4-[2-[(2-fluorophenyl)methylamino]-1-hydroxyethyl]benzonitrile
SMILESN#Cc1ccc(C(O)CNCc2ccccc2F)cc1
InChIInChI=1S/C16H15FN2O/c17-15-4-2-1-3-14(15)10-19-11-16(20)13-7-5-12(9-18)6-8-13/h1-8,16,19-20H,10-11H2
InChIKeyKMMNUYFTAPGZJO-UHFFFAOYSA-N
MW270.31 g/mol
LogP2.52
Rot. Bonds5

About 4-[2-[(2-fluorophenyl)methylamino]-1-hydroxyethyl]benzonitrile

4-[2-[(2-fluorophenyl)methylamino]-1-hydroxyethyl]benzonitrile (PubChem CID 60899902) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is 4-[2-[(2-fluorophenyl)methylamino]-1-hydroxyethyl]benzonitrile.

Molecular Properties

Compound Name4-[2-[(2-fluorophenyl)methylamino]-1-hydroxyethyl]benzonitrile
PubChem CID60899902
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name4-[2-[(2-fluorophenyl)methylamino]-1-hydroxyethyl]benzonitrile
SMILESN#Cc1ccc(C(O)CNCc2ccccc2F)cc1
InChIInChI=1S/C16H15FN2O/c17-15-4-2-1-3-14(15)10-19-11-16(20)13-7-5-12(9-18)6-8-13/h1-8,16,19-20H,10-11H2
InChIKeyKMMNUYFTAPGZJO-UHFFFAOYSA-N
XLogP2.52
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(2-fluorophenyl)-1-hydroxyethyl]benzonitrile
CID 115480843
4-[[[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]amino]methyl]benzonitrile
CID 93355701
4-[[[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]methyl]benzonitrile
CID 93355702
2-[(2,3-difluorophenyl)methylamino]-1-phenylethanol
CID 43425224
4-[2-(2,3-difluorophenyl)-1-hydroxyethyl]benzonitrile
CID 115481026
3-[(2-fluorophenyl)methylamino]propane-1,2-diol
CID 56986233
2-[(2,5-difluorophenyl)methylamino]-1-phenylethanol
CID 43499154
2-[(2-ethylphenyl)methylamino]-1-(4-fluorophenyl)ethanol
CID 64681384
3-[(2-fluorophenyl)methylamino]-1-phenylpropan-1-ol
CID 12951841
1-phenyl-2-[(2,4,5-trifluorophenyl)methylamino]ethanol
CID 103792326
4-[1-hydroxy-2-(methylamino)ethyl]benzonitrile
CID 60904428
4-[2-[(2,2-difluoro-3-hydroxypropyl)amino]-1-hydroxyethyl]benzonitrile
CID 106176188

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-fluorophenyl)methylamino]-1-hydroxyethyl]benzonitrile?
The IUPAC name of 4-[2-[(2-fluorophenyl)methylamino]-1-hydroxyethyl]benzonitrile (CID 60899902) is 4-[2-[(2-fluorophenyl)methylamino]-1-hydroxyethyl]benzonitrile.
What is the SMILES notation for 4-[2-[(2-fluorophenyl)methylamino]-1-hydroxyethyl]benzonitrile?
The canonical SMILES for 4-[2-[(2-fluorophenyl)methylamino]-1-hydroxyethyl]benzonitrile is N#Cc1ccc(C(O)CNCc2ccccc2F)cc1.
What is the InChIKey of 4-[2-[(2-fluorophenyl)methylamino]-1-hydroxyethyl]benzonitrile?
The InChIKey is KMMNUYFTAPGZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c17-15-4-2-1-3-14(15)10-19-11-16(20)13-7-5-12(9-18)6-8-13/h1-8,16,19-20H,10-11H2.
What are the key properties of 4-[2-[(2-fluorophenyl)methylamino]-1-hydroxyethyl]benzonitrile?
4-[2-[(2-fluorophenyl)methylamino]-1-hydroxyethyl]benzonitrile has a molecular weight of 270.31 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-fluorophenyl)methylamino]-1-hydroxyethyl]benzonitrile is sourced from PubChem (CID 60899902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).