4-fluoro-3-[[(2-methylcyclopentyl)methylamino]methyl]benzonitrile

C15H19FN2 — CID 107418224

IUPAC4-fluoro-3-[[(2-methylcyclopentyl)methylamino]methyl]benzonitrile
SMILESCC1CCCC1CNCc1cc(C#N)ccc1F
InChIInChI=1S/C15H19FN2/c1-11-3-2-4-13(11)9-18-10-14-7-12(8-17)5-6-15(14)16/h5-7,11,13,18H,2-4,9-10H2,1H3
InChIKeyQREKWRUKEWVCDI-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.22
Rot. Bonds4

About 4-fluoro-3-[[(2-methylcyclopentyl)methylamino]methyl]benzonitrile

4-fluoro-3-[[(2-methylcyclopentyl)methylamino]methyl]benzonitrile (PubChem CID 107418224) has the molecular formula C15H19FN2 and a molecular weight of 246.33 g/mol. Its IUPAC name is 4-fluoro-3-[[(2-methylcyclopentyl)methylamino]methyl]benzonitrile.

Molecular Properties

Compound Name4-fluoro-3-[[(2-methylcyclopentyl)methylamino]methyl]benzonitrile
PubChem CID107418224
Molecular FormulaC15H19FN2
Molecular Weight246.33 g/mol
Exact Mass246.15
IUPAC Name4-fluoro-3-[[(2-methylcyclopentyl)methylamino]methyl]benzonitrile
SMILESCC1CCCC1CNCc1cc(C#N)ccc1F
InChIInChI=1S/C15H19FN2/c1-11-3-2-4-13(11)9-18-10-14-7-12(8-17)5-6-15(14)16/h5-7,11,13,18H,2-4,9-10H2,1H3
InChIKeyQREKWRUKEWVCDI-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-4-[(2-methylcyclopentyl)methylamino]benzonitrile
CID 107418639
4-fluoro-3-[[(2-methylcyclohexyl)amino]methyl]benzonitrile
CID 43179956
4-fluoro-3-[[(2-methylcyclopentyl)methylamino]methyl]benzoic acid
CID 107453491
2-[[(2-methylcyclopentyl)methylamino]methyl]benzonitrile
CID 114017972
4-fluoro-3-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]benzonitrile
CID 60855431
4-fluoro-3-[(2-methylsulfanylethylamino)methyl]benzonitrile
CID 60716205
N-[(2-bromo-5-chlorophenyl)methyl]-1-(2-methylcyclopentyl)methanamine
CID 107416853
3-[(2,6-dimethylpiperidin-1-yl)methyl]-4-fluorobenzonitrile
CID 43184956
3-[[2-(dimethylamino)ethylamino]methyl]-4-fluorobenzonitrile
CID 28586852
3-[(cyclooctylamino)methyl]-4-fluorobenzonitrile
CID 28575792
3-[(2,3-dimethylpiperidin-1-yl)methyl]-4-fluorobenzonitrile
CID 55040035
4-[[(2-hydroxycyclohexyl)methylamino]methyl]-3-methylbenzonitrile
CID 114480410

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[[(2-methylcyclopentyl)methylamino]methyl]benzonitrile?
The IUPAC name of 4-fluoro-3-[[(2-methylcyclopentyl)methylamino]methyl]benzonitrile (CID 107418224) is 4-fluoro-3-[[(2-methylcyclopentyl)methylamino]methyl]benzonitrile.
What is the SMILES notation for 4-fluoro-3-[[(2-methylcyclopentyl)methylamino]methyl]benzonitrile?
The canonical SMILES for 4-fluoro-3-[[(2-methylcyclopentyl)methylamino]methyl]benzonitrile is CC1CCCC1CNCc1cc(C#N)ccc1F.
What is the InChIKey of 4-fluoro-3-[[(2-methylcyclopentyl)methylamino]methyl]benzonitrile?
The InChIKey is QREKWRUKEWVCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2/c1-11-3-2-4-13(11)9-18-10-14-7-12(8-17)5-6-15(14)16/h5-7,11,13,18H,2-4,9-10H2,1H3.
What are the key properties of 4-fluoro-3-[[(2-methylcyclopentyl)methylamino]methyl]benzonitrile?
4-fluoro-3-[[(2-methylcyclopentyl)methylamino]methyl]benzonitrile has a molecular weight of 246.33 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[[(2-methylcyclopentyl)methylamino]methyl]benzonitrile is sourced from PubChem (CID 107418224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).