3-[[cyclopentyl(methyl)amino]methyl]-2-fluorobenzonitrile

C14H17FN2 — CID 103912018

IUPAC3-[[cyclopentyl(methyl)amino]methyl]-2-fluorobenzonitrile
SMILESCN(Cc1cccc(C#N)c1F)C1CCCC1
InChIInChI=1S/C14H17FN2/c1-17(13-7-2-3-8-13)10-12-6-4-5-11(9-16)14(12)15/h4-6,13H,2-3,7-8,10H2,1H3
InChIKeyWJHALKQOCGMLIO-UHFFFAOYSA-N
MW232.30 g/mol
LogP3.07
Rot. Bonds3

About 3-[[cyclopentyl(methyl)amino]methyl]-2-fluorobenzonitrile

3-[[cyclopentyl(methyl)amino]methyl]-2-fluorobenzonitrile (PubChem CID 103912018) has the molecular formula C14H17FN2 and a molecular weight of 232.30 g/mol. Its IUPAC name is 3-[[cyclopentyl(methyl)amino]methyl]-2-fluorobenzonitrile.

Molecular Properties

Compound Name3-[[cyclopentyl(methyl)amino]methyl]-2-fluorobenzonitrile
PubChem CID103912018
Molecular FormulaC14H17FN2
Molecular Weight232.30 g/mol
Exact Mass232.14
IUPAC Name3-[[cyclopentyl(methyl)amino]methyl]-2-fluorobenzonitrile
SMILESCN(Cc1cccc(C#N)c1F)C1CCCC1
InChIInChI=1S/C14H17FN2/c1-17(13-7-2-3-8-13)10-12-6-4-5-11(9-16)14(12)15/h4-6,13H,2-3,7-8,10H2,1H3
InChIKeyWJHALKQOCGMLIO-UHFFFAOYSA-N
XLogP3.07
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[cyclopentyl(3-methylbutyl)amino]methyl]-2-fluorobenzonitrile
CID 107114969
2-[[cyclohexyl(methyl)amino]methyl]-4-fluorobenzonitrile
CID 103760538
3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-2-fluorobenzonitrile
CID 103912415
3-(cyclopentylsulfanylmethyl)-2-fluorobenzonitrile
CID 103912199
3-[(N,2-dimethylanilino)methyl]-2-fluorobenzonitrile
CID 107114943
4-[[cyclopentyl(methyl)amino]methyl]-3-fluorobenzonitrile
CID 43213307
3-[[cyclopentyl(methyl)amino]methyl]pyridine-2-carbonitrile
CID 62894133
2-[[methyl-(1-propylpiperidin-4-yl)amino]methyl]benzonitrile
CID 56785970
2-[[cyclohexyl(methyl)amino]methyl]-6-fluorophenol
CID 112616052
3-[(3-cyano-2-fluorophenyl)methyl-methylamino]propanoic acid
CID 107118782
2-[(3-cyano-2-fluorophenyl)methyl-methylamino]acetic acid
CID 107118765
4-[[cycloheptyl(methyl)amino]methyl]-3-fluorobenzonitrile
CID 43409299

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopentyl(methyl)amino]methyl]-2-fluorobenzonitrile?
The IUPAC name of 3-[[cyclopentyl(methyl)amino]methyl]-2-fluorobenzonitrile (CID 103912018) is 3-[[cyclopentyl(methyl)amino]methyl]-2-fluorobenzonitrile.
What is the SMILES notation for 3-[[cyclopentyl(methyl)amino]methyl]-2-fluorobenzonitrile?
The canonical SMILES for 3-[[cyclopentyl(methyl)amino]methyl]-2-fluorobenzonitrile is CN(Cc1cccc(C#N)c1F)C1CCCC1.
What is the InChIKey of 3-[[cyclopentyl(methyl)amino]methyl]-2-fluorobenzonitrile?
The InChIKey is WJHALKQOCGMLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2/c1-17(13-7-2-3-8-13)10-12-6-4-5-11(9-16)14(12)15/h4-6,13H,2-3,7-8,10H2,1H3.
What are the key properties of 3-[[cyclopentyl(methyl)amino]methyl]-2-fluorobenzonitrile?
3-[[cyclopentyl(methyl)amino]methyl]-2-fluorobenzonitrile has a molecular weight of 232.30 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopentyl(methyl)amino]methyl]-2-fluorobenzonitrile is sourced from PubChem (CID 103912018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).