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

C18H17FN2 — CID 60919127

IUPAC3-[[[3-(2-fluorophenyl)cyclobutyl]amino]methyl]benzonitrile
SMILESN#Cc1cccc(CNC2CC(c3ccccc3F)C2)c1
InChIInChI=1S/C18H17FN2/c19-18-7-2-1-6-17(18)15-9-16(10-15)21-12-14-5-3-4-13(8-14)11-20/h1-8,15-16,21H,9-10,12H2
InChIKeySGBWNRXZNDAKMH-UHFFFAOYSA-N
MW280.35 g/mol
LogP3.73
Rot. Bonds4

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

3-[[[3-(2-fluorophenyl)cyclobutyl]amino]methyl]benzonitrile (PubChem CID 60919127) has the molecular formula C18H17FN2 and a molecular weight of 280.35 g/mol. Its IUPAC name is 3-[[[3-(2-fluorophenyl)cyclobutyl]amino]methyl]benzonitrile.

Molecular Properties

Compound Name3-[[[3-(2-fluorophenyl)cyclobutyl]amino]methyl]benzonitrile
PubChem CID60919127
Molecular FormulaC18H17FN2
Molecular Weight280.35 g/mol
Exact Mass280.14
IUPAC Name3-[[[3-(2-fluorophenyl)cyclobutyl]amino]methyl]benzonitrile
SMILESN#Cc1cccc(CNC2CC(c3ccccc3F)C2)c1
InChIInChI=1S/C18H17FN2/c19-18-7-2-1-6-17(18)15-9-16(10-15)21-12-14-5-3-4-13(8-14)11-20/h1-8,15-16,21H,9-10,12H2
InChIKeySGBWNRXZNDAKMH-UHFFFAOYSA-N
XLogP3.73
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[[[3-(2-fluorophenyl)cyclobutyl]amino]methyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[[3-(2-fluorophenyl)cyclobutyl]amino]methyl]benzonitrile?
The IUPAC name of 3-[[[3-(2-fluorophenyl)cyclobutyl]amino]methyl]benzonitrile (CID 60919127) is 3-[[[3-(2-fluorophenyl)cyclobutyl]amino]methyl]benzonitrile.
What is the SMILES notation for 3-[[[3-(2-fluorophenyl)cyclobutyl]amino]methyl]benzonitrile?
The canonical SMILES for 3-[[[3-(2-fluorophenyl)cyclobutyl]amino]methyl]benzonitrile is N#Cc1cccc(CNC2CC(c3ccccc3F)C2)c1.
What is the InChIKey of 3-[[[3-(2-fluorophenyl)cyclobutyl]amino]methyl]benzonitrile?
The InChIKey is SGBWNRXZNDAKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2/c19-18-7-2-1-6-17(18)15-9-16(10-15)21-12-14-5-3-4-13(8-14)11-20/h1-8,15-16,21H,9-10,12H2.
What are the key properties of 3-[[[3-(2-fluorophenyl)cyclobutyl]amino]methyl]benzonitrile?
3-[[[3-(2-fluorophenyl)cyclobutyl]amino]methyl]benzonitrile has a molecular weight of 280.35 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[3-(2-fluorophenyl)cyclobutyl]amino]methyl]benzonitrile is sourced from PubChem (CID 60919127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).