2-[(1-aminocyclopentyl)methoxy]-5-(trifluoromethyl)benzonitrile

C14H15F3N2O — CID 64572246

IUPAC2-[(1-aminocyclopentyl)methoxy]-5-(trifluoromethyl)benzonitrile
SMILESN#Cc1cc(C(F)(F)F)ccc1OCC1(N)CCCC1
InChIInChI=1S/C14H15F3N2O/c15-14(16,17)11-3-4-12(10(7-11)8-18)20-9-13(19)5-1-2-6-13/h3-4,7H,1-2,5-6,9,19H2
InChIKeyQIXQCPBAUKOEJK-UHFFFAOYSA-N
MW284.28 g/mol
LogP3.23
Rot. Bonds3

About 2-[(1-aminocyclopentyl)methoxy]-5-(trifluoromethyl)benzonitrile

2-[(1-aminocyclopentyl)methoxy]-5-(trifluoromethyl)benzonitrile (PubChem CID 64572246) has the molecular formula C14H15F3N2O and a molecular weight of 284.28 g/mol. Its IUPAC name is 2-[(1-aminocyclopentyl)methoxy]-5-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name2-[(1-aminocyclopentyl)methoxy]-5-(trifluoromethyl)benzonitrile
PubChem CID64572246
Molecular FormulaC14H15F3N2O
Molecular Weight284.28 g/mol
Exact Mass284.11
IUPAC Name2-[(1-aminocyclopentyl)methoxy]-5-(trifluoromethyl)benzonitrile
SMILESN#Cc1cc(C(F)(F)F)ccc1OCC1(N)CCCC1
InChIInChI=1S/C14H15F3N2O/c15-14(16,17)11-3-4-12(10(7-11)8-18)20-9-13(19)5-1-2-6-13/h3-4,7H,1-2,5-6,9,19H2
InChIKeyQIXQCPBAUKOEJK-UHFFFAOYSA-N
XLogP3.23
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-aminocyclohexyl)methoxy]-5-chlorobenzonitrile
CID 64571475
4-[(1-aminocycloheptyl)methoxy]-2-bromo-3-fluorobenzonitrile
CID 107539832
2-[(1-aminocyclopentyl)methoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79877225
2-(3-hydroxypropoxy)-5-(trifluoromethyl)benzonitrile
CID 43153605
ethyl 2-[2-cyano-4-(trifluoromethyl)phenoxy]acetate
CID 59825201
2-(oxolan-2-ylmethoxy)-5-(trifluoromethyl)benzonitrile
CID 43331128
4-[(1-aminocycloheptyl)methoxy]-2-bromobenzonitrile
CID 107281557
2-[2-(diethylamino)ethoxy]-5-(trifluoromethyl)benzonitrile
CID 61102860
2-methoxy-4-(trifluoromethyl)benzonitrile
CID 19001376
2-[(1-methylcyclohexyl)amino]-5-(trifluoromethyl)benzonitrile
CID 63512159
2-(2-hydroxyphenoxy)-5-(trifluoromethyl)benzonitrile
CID 12805692
2-(2-fluoro-4-formylphenoxy)-5-(trifluoromethyl)benzonitrile
CID 118679156

Frequently Asked Questions

What is the IUPAC name of 2-[(1-aminocyclopentyl)methoxy]-5-(trifluoromethyl)benzonitrile?
The IUPAC name of 2-[(1-aminocyclopentyl)methoxy]-5-(trifluoromethyl)benzonitrile (CID 64572246) is 2-[(1-aminocyclopentyl)methoxy]-5-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 2-[(1-aminocyclopentyl)methoxy]-5-(trifluoromethyl)benzonitrile?
The canonical SMILES for 2-[(1-aminocyclopentyl)methoxy]-5-(trifluoromethyl)benzonitrile is N#Cc1cc(C(F)(F)F)ccc1OCC1(N)CCCC1.
What is the InChIKey of 2-[(1-aminocyclopentyl)methoxy]-5-(trifluoromethyl)benzonitrile?
The InChIKey is QIXQCPBAUKOEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O/c15-14(16,17)11-3-4-12(10(7-11)8-18)20-9-13(19)5-1-2-6-13/h3-4,7H,1-2,5-6,9,19H2.
What are the key properties of 2-[(1-aminocyclopentyl)methoxy]-5-(trifluoromethyl)benzonitrile?
2-[(1-aminocyclopentyl)methoxy]-5-(trifluoromethyl)benzonitrile has a molecular weight of 284.28 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-aminocyclopentyl)methoxy]-5-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 64572246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).