2-[cyclopentyl(ethyl)amino]-6-fluorobenzonitrile

C14H17FN2 — CID 78958816

IUPAC2-[cyclopentyl(ethyl)amino]-6-fluorobenzonitrile
SMILESCCN(c1cccc(F)c1C#N)C1CCCC1
InChIInChI=1S/C14H17FN2/c1-2-17(11-6-3-4-7-11)14-9-5-8-13(15)12(14)10-16/h5,8-9,11H,2-4,6-7H2,1H3
InChIKeyRCRGUWCEOVXYCA-UHFFFAOYSA-N
MW232.30 g/mol
LogP3.47
Rot. Bonds3

About 2-[cyclopentyl(ethyl)amino]-6-fluorobenzonitrile

2-[cyclopentyl(ethyl)amino]-6-fluorobenzonitrile (PubChem CID 78958816) has the molecular formula C14H17FN2 and a molecular weight of 232.30 g/mol. Its IUPAC name is 2-[cyclopentyl(ethyl)amino]-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-[cyclopentyl(ethyl)amino]-6-fluorobenzonitrile
PubChem CID78958816
Molecular FormulaC14H17FN2
Molecular Weight232.30 g/mol
Exact Mass232.14
IUPAC Name2-[cyclopentyl(ethyl)amino]-6-fluorobenzonitrile
SMILESCCN(c1cccc(F)c1C#N)C1CCCC1
InChIInChI=1S/C14H17FN2/c1-2-17(11-6-3-4-7-11)14-9-5-8-13(15)12(14)10-16/h5,8-9,11H,2-4,6-7H2,1H3
InChIKeyRCRGUWCEOVXYCA-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclobutyl(methyl)amino]-6-fluorobenzonitrile
CID 115650123
ethyl 2-(2-cyano-N-cyclopropyl-3-fluoroanilino)acetate
CID 62005740
2-[cyclohexylmethyl(methyl)amino]-6-fluorobenzonitrile
CID 112822772
2-[cyclopropyl(ethyl)amino]benzonitrile
CID 43264326
2-[butan-2-yl(ethyl)amino]-6-fluorobenzonitrile
CID 79512921
N-ethyl-N-(2-fluorophenyl)azepan-4-amine
CID 112690286
5-chloro-2-[cyclopentyl(ethyl)amino]benzonitrile
CID 62494913
2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-6-fluorobenzonitrile
CID 79478979
2-(N-ethyl-4-fluoroanilino)-6-fluorobenzonitrile
CID 79513025
N-ethyl-N-(2-fluorophenyl)azepan-3-amine
CID 113229556
2-[cyclobutyl(3-hydroxypropyl)amino]-6-ethylsulfanylbenzonitrile
CID 102862337
(1S)-1-[2-[cyclopropyl(ethyl)amino]-6-fluorophenyl]ethanol
CID 78939475

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(ethyl)amino]-6-fluorobenzonitrile?
The IUPAC name of 2-[cyclopentyl(ethyl)amino]-6-fluorobenzonitrile (CID 78958816) is 2-[cyclopentyl(ethyl)amino]-6-fluorobenzonitrile.
What is the SMILES notation for 2-[cyclopentyl(ethyl)amino]-6-fluorobenzonitrile?
The canonical SMILES for 2-[cyclopentyl(ethyl)amino]-6-fluorobenzonitrile is CCN(c1cccc(F)c1C#N)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(ethyl)amino]-6-fluorobenzonitrile?
The InChIKey is RCRGUWCEOVXYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2/c1-2-17(11-6-3-4-7-11)14-9-5-8-13(15)12(14)10-16/h5,8-9,11H,2-4,6-7H2,1H3.
What are the key properties of 2-[cyclopentyl(ethyl)amino]-6-fluorobenzonitrile?
2-[cyclopentyl(ethyl)amino]-6-fluorobenzonitrile has a molecular weight of 232.30 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(ethyl)amino]-6-fluorobenzonitrile is sourced from PubChem (CID 78958816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).