4-[cyclopentyl(methyl)amino]-2-(trifluoromethyl)benzonitrile

C14H15F3N2 — CID 11521859

IUPAC4-[cyclopentyl(methyl)amino]-2-(trifluoromethyl)benzonitrile
SMILESCN(c1ccc(C#N)c(C(F)(F)F)c1)C1CCCC1
InChIInChI=1S/C14H15F3N2/c1-19(11-4-2-3-5-11)12-7-6-10(9-18)13(8-12)14(15,16)17/h6-8,11H,2-5H2,1H3
InChIKeyJCCJNNXZDLEAIQ-UHFFFAOYSA-N
MW268.28 g/mol
LogP3.96
Rot. Bonds2

About 4-[cyclopentyl(methyl)amino]-2-(trifluoromethyl)benzonitrile

4-[cyclopentyl(methyl)amino]-2-(trifluoromethyl)benzonitrile (PubChem CID 11521859) has the molecular formula C14H15F3N2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 4-[cyclopentyl(methyl)amino]-2-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name4-[cyclopentyl(methyl)amino]-2-(trifluoromethyl)benzonitrile
PubChem CID11521859
Molecular FormulaC14H15F3N2
Molecular Weight268.28 g/mol
Exact Mass268.12
IUPAC Name4-[cyclopentyl(methyl)amino]-2-(trifluoromethyl)benzonitrile
SMILESCN(c1ccc(C#N)c(C(F)(F)F)c1)C1CCCC1
InChIInChI=1S/C14H15F3N2/c1-19(11-4-2-3-5-11)12-7-6-10(9-18)13(8-12)14(15,16)17/h6-8,11H,2-5H2,1H3
InChIKeyJCCJNNXZDLEAIQ-UHFFFAOYSA-N
XLogP3.96
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[methyl(oxan-4-yl)amino]-2-(trifluoromethyl)benzonitrile
CID 43611169
4-[methyl(3-methylbutan-2-yl)amino]-2-(trifluoromethyl)benzonitrile
CID 11694681
5-[azepan-4-yl(methyl)amino]-2-(trifluoromethyl)benzonitrile
CID 107174029
4-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]-2-(trifluoromethyl)benzonitrile
CID 94198194
4-(diethylamino)-2-(trifluoromethyl)benzonitrile
CID 11356913
4-[cyclopropylmethyl(ethyl)amino]-2-(trifluoromethyl)benzonitrile
CID 63954569
1-[4-cyano-3-(trifluoromethyl)phenyl]-1-methylthiourea
CID 88904021
4-[methyl(propyl)amino]-2-(trifluoromethyl)benzonitrile
CID 43271422
4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-(trifluoromethyl)benzonitrile
CID 63274111
2-[4-cyano-N-methyl-3-(trifluoromethyl)anilino]-N,N-dimethylacetamide
CID 43375326
4-methyl-2-(trifluoromethyl)benzonitrile
CID 2775597
(2S)-2-[4-cyano-N-(cyclopropylmethyl)-3-(trifluoromethyl)anilino]-N,N-dimethylpropanamide
CID 68583815

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopentyl(methyl)amino]-2-(trifluoromethyl)benzonitrile?
The IUPAC name of 4-[cyclopentyl(methyl)amino]-2-(trifluoromethyl)benzonitrile (CID 11521859) is 4-[cyclopentyl(methyl)amino]-2-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 4-[cyclopentyl(methyl)amino]-2-(trifluoromethyl)benzonitrile?
The canonical SMILES for 4-[cyclopentyl(methyl)amino]-2-(trifluoromethyl)benzonitrile is CN(c1ccc(C#N)c(C(F)(F)F)c1)C1CCCC1.
What is the InChIKey of 4-[cyclopentyl(methyl)amino]-2-(trifluoromethyl)benzonitrile?
The InChIKey is JCCJNNXZDLEAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2/c1-19(11-4-2-3-5-11)12-7-6-10(9-18)13(8-12)14(15,16)17/h6-8,11H,2-5H2,1H3.
What are the key properties of 4-[cyclopentyl(methyl)amino]-2-(trifluoromethyl)benzonitrile?
4-[cyclopentyl(methyl)amino]-2-(trifluoromethyl)benzonitrile has a molecular weight of 268.28 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopentyl(methyl)amino]-2-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 11521859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).