3-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]benzonitrile

C16H15FN2O — CID 60918684

IUPAC3-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]benzonitrile
SMILESN#Cc1cccc(CNCC(O)c2cccc(F)c2)c1
InChIInChI=1S/C16H15FN2O/c17-15-6-2-5-14(8-15)16(20)11-19-10-13-4-1-3-12(7-13)9-18/h1-8,16,19-20H,10-11H2
InChIKeyVEZJTZLFRVQVRP-UHFFFAOYSA-N
MW270.31 g/mol
LogP2.52
Rot. Bonds5

About 3-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]benzonitrile

3-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]benzonitrile (PubChem CID 60918684) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is 3-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]benzonitrile.

Molecular Properties

Compound Name3-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]benzonitrile
PubChem CID60918684
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name3-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]benzonitrile
SMILESN#Cc1cccc(CNCC(O)c2cccc(F)c2)c1
InChIInChI=1S/C16H15FN2O/c17-15-6-2-5-14(8-15)16(20)11-19-10-13-4-1-3-12(7-13)9-18/h1-8,16,19-20H,10-11H2
InChIKeyVEZJTZLFRVQVRP-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

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CID 114331841
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CID 60906498
1-(4-fluorophenyl)-2-[[3-(hydroxymethyl)phenyl]methylamino]ethanol
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3-[(3-fluorophenyl)methylamino]-2-phenylpropanenitrile
CID 64537208
3-[[(4-propan-2-ylphenyl)methylamino]methyl]benzonitrile
CID 60756462
4-[3-[[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]phenoxy]butanenitrile
CID 119108897
3-[[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]methyl]benzonitrile
CID 60917979
2-[(3-fluorophenyl)methylamino]-1-(4-propan-2-yloxyphenyl)ethanol
CID 111422221
3-[[(3-fluoro-4-methylphenyl)methylamino]methyl]benzonitrile
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1-(3-fluorophenyl)-2-(3-methylbut-2-enylamino)ethanol
CID 106547043

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]benzonitrile?
The IUPAC name of 3-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]benzonitrile (CID 60918684) is 3-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]benzonitrile.
What is the SMILES notation for 3-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]benzonitrile?
The canonical SMILES for 3-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]benzonitrile is N#Cc1cccc(CNCC(O)c2cccc(F)c2)c1.
What is the InChIKey of 3-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]benzonitrile?
The InChIKey is VEZJTZLFRVQVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c17-15-6-2-5-14(8-15)16(20)11-19-10-13-4-1-3-12(7-13)9-18/h1-8,16,19-20H,10-11H2.
What are the key properties of 3-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]benzonitrile?
3-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]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 3-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]benzonitrile is sourced from PubChem (CID 60918684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).