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

C14H17FN2 — CID 43213307

IUPAC4-[[cyclopentyl(methyl)amino]methyl]-3-fluorobenzonitrile
SMILESCN(Cc1ccc(C#N)cc1F)C1CCCC1
InChIInChI=1S/C14H17FN2/c1-17(13-4-2-3-5-13)10-12-7-6-11(9-16)8-14(12)15/h6-8,13H,2-5,10H2,1H3
InChIKeySJVNJXVPHMSUHG-UHFFFAOYSA-N
MW232.30 g/mol
LogP3.07
Rot. Bonds3

About 4-[[cyclopentyl(methyl)amino]methyl]-3-fluorobenzonitrile

4-[[cyclopentyl(methyl)amino]methyl]-3-fluorobenzonitrile (PubChem CID 43213307) has the molecular formula C14H17FN2 and a molecular weight of 232.30 g/mol. Its IUPAC name is 4-[[cyclopentyl(methyl)amino]methyl]-3-fluorobenzonitrile.

Molecular Properties

Compound Name4-[[cyclopentyl(methyl)amino]methyl]-3-fluorobenzonitrile
PubChem CID43213307
Molecular FormulaC14H17FN2
Molecular Weight232.30 g/mol
Exact Mass232.14
IUPAC Name4-[[cyclopentyl(methyl)amino]methyl]-3-fluorobenzonitrile
SMILESCN(Cc1ccc(C#N)cc1F)C1CCCC1
InChIInChI=1S/C14H17FN2/c1-17(13-4-2-3-5-13)10-12-7-6-11(9-16)8-14(12)15/h6-8,13H,2-5,10H2,1H3
InChIKeySJVNJXVPHMSUHG-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

4-[[cycloheptyl(methyl)amino]methyl]-3-fluorobenzonitrile
CID 43409299
4-[[cycloheptyl(methyl)amino]methyl]-3-methylbenzonitrile
CID 114481012
3-chloro-4-[[cyclopentyl(methyl)amino]methyl]benzonitrile
CID 102665289
4-[[cyclobutylmethyl(methyl)amino]methyl]-3-fluorobenzonitrile
CID 62860429
2-[(4-cyano-2-fluorophenyl)methyl-cyclopentylamino]acetic acid
CID 60833177
N-[(4-amino-2-fluorophenyl)methyl]-N-methylcycloheptanamine
CID 64768656
2-[[cyclohexyl(methyl)amino]methyl]-4-fluorobenzonitrile
CID 103760538
[4-[[cyclopentyl(methyl)amino]methyl]-3-fluorophenyl]boronic acid
CID 54970476
4-[[cyclopropylmethyl(ethyl)amino]methyl]-3-fluorobenzonitrile
CID 63956998
4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-3-fluorobenzonitrile
CID 54948852
3-fluoro-4-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]benzonitrile
CID 79314064
4-[[2-aminoethyl(methyl)amino]methyl]-3-fluorobenzonitrile
CID 62685924

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopentyl(methyl)amino]methyl]-3-fluorobenzonitrile?
The IUPAC name of 4-[[cyclopentyl(methyl)amino]methyl]-3-fluorobenzonitrile (CID 43213307) is 4-[[cyclopentyl(methyl)amino]methyl]-3-fluorobenzonitrile.
What is the SMILES notation for 4-[[cyclopentyl(methyl)amino]methyl]-3-fluorobenzonitrile?
The canonical SMILES for 4-[[cyclopentyl(methyl)amino]methyl]-3-fluorobenzonitrile is CN(Cc1ccc(C#N)cc1F)C1CCCC1.
What is the InChIKey of 4-[[cyclopentyl(methyl)amino]methyl]-3-fluorobenzonitrile?
The InChIKey is SJVNJXVPHMSUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2/c1-17(13-4-2-3-5-13)10-12-7-6-11(9-16)8-14(12)15/h6-8,13H,2-5,10H2,1H3.
What are the key properties of 4-[[cyclopentyl(methyl)amino]methyl]-3-fluorobenzonitrile?
4-[[cyclopentyl(methyl)amino]methyl]-3-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 4-[[cyclopentyl(methyl)amino]methyl]-3-fluorobenzonitrile is sourced from PubChem (CID 43213307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).