3-[(1-cyclopentylethylamino)methyl]-2-fluorobenzonitrile

C15H19FN2 — CID 104579614

IUPAC3-[(1-cyclopentylethylamino)methyl]-2-fluorobenzonitrile
SMILESCC(NCc1cccc(C#N)c1F)C1CCCC1
InChIInChI=1S/C15H19FN2/c1-11(12-5-2-3-6-12)18-10-14-8-4-7-13(9-17)15(14)16/h4,7-8,11-12,18H,2-3,5-6,10H2,1H3
InChIKeyULHCABBHQOFSKC-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.37
Rot. Bonds4

About 3-[(1-cyclopentylethylamino)methyl]-2-fluorobenzonitrile

3-[(1-cyclopentylethylamino)methyl]-2-fluorobenzonitrile (PubChem CID 104579614) has the molecular formula C15H19FN2 and a molecular weight of 246.33 g/mol. Its IUPAC name is 3-[(1-cyclopentylethylamino)methyl]-2-fluorobenzonitrile.

Molecular Properties

Compound Name3-[(1-cyclopentylethylamino)methyl]-2-fluorobenzonitrile
PubChem CID104579614
Molecular FormulaC15H19FN2
Molecular Weight246.33 g/mol
Exact Mass246.15
IUPAC Name3-[(1-cyclopentylethylamino)methyl]-2-fluorobenzonitrile
SMILESCC(NCc1cccc(C#N)c1F)C1CCCC1
InChIInChI=1S/C15H19FN2/c1-11(12-5-2-3-6-12)18-10-14-8-4-7-13(9-17)15(14)16/h4,7-8,11-12,18H,2-3,5-6,10H2,1H3
InChIKeyULHCABBHQOFSKC-UHFFFAOYSA-N
XLogP3.37
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(1-cyclopentylethylamino)methyl]-2-fluorobenzonitrile with MolForge

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

Launch Full Analysis

Related Compounds

2-[[[(1R)-1-cyclopentylethyl]amino]methyl]benzonitrile
CID 114017957
(1S)-1-cyclopentyl-N-[(2-fluoro-3-nitrophenyl)methyl]ethanamine
CID 107349341
2-[[[(1R)-1-cycloheptylethyl]amino]methyl]-4-fluorobenzonitrile
CID 107904611
3-[(butan-2-ylamino)methyl]-2-fluorobenzonitrile
CID 107114325
(1R)-1-cyclopentyl-N-[(2-fluorophenyl)methyl]ethanamine
CID 81394013
2-fluoro-3-[[[(1R)-1-phenylethyl]amino]methyl]benzonitrile
CID 103913767
3-[[[(1R)-1-cyclohexylethyl]amino]methyl]-4-fluorobenzonitrile
CID 81384437
2-[[[(1S)-1-cyclopentylethyl]amino]methyl]phenol
CID 81386738
3-[(2-cyclopentylethylamino)methyl]-2-fluorobenzonitrile
CID 107114440
2-fluoro-3-[[1-(2-fluorophenyl)ethylamino]methyl]benzonitrile
CID 103912410
3-[(1-cyclohexylethylamino)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107116941
3-[[(2,2-dimethylcyclopropyl)amino]methyl]-2-fluorobenzonitrile
CID 107114531

Frequently Asked Questions

What is the IUPAC name of 3-[(1-cyclopentylethylamino)methyl]-2-fluorobenzonitrile?
The IUPAC name of 3-[(1-cyclopentylethylamino)methyl]-2-fluorobenzonitrile (CID 104579614) is 3-[(1-cyclopentylethylamino)methyl]-2-fluorobenzonitrile.
What is the SMILES notation for 3-[(1-cyclopentylethylamino)methyl]-2-fluorobenzonitrile?
The canonical SMILES for 3-[(1-cyclopentylethylamino)methyl]-2-fluorobenzonitrile is CC(NCc1cccc(C#N)c1F)C1CCCC1.
What is the InChIKey of 3-[(1-cyclopentylethylamino)methyl]-2-fluorobenzonitrile?
The InChIKey is ULHCABBHQOFSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2/c1-11(12-5-2-3-6-12)18-10-14-8-4-7-13(9-17)15(14)16/h4,7-8,11-12,18H,2-3,5-6,10H2,1H3.
What are the key properties of 3-[(1-cyclopentylethylamino)methyl]-2-fluorobenzonitrile?
3-[(1-cyclopentylethylamino)methyl]-2-fluorobenzonitrile has a molecular weight of 246.33 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-cyclopentylethylamino)methyl]-2-fluorobenzonitrile is sourced from PubChem (CID 104579614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).