4-(3-aminocyclohexyl)oxy-2-(trifluoromethyl)benzonitrile

C14H15F3N2O — CID 79466047

IUPAC4-(3-aminocyclohexyl)oxy-2-(trifluoromethyl)benzonitrile
SMILESN#Cc1ccc(OC2CCCC(N)C2)cc1C(F)(F)F
InChIInChI=1S/C14H15F3N2O/c15-14(16,17)13-7-12(5-4-9(13)8-18)20-11-3-1-2-10(19)6-11/h4-5,7,10-11H,1-3,6,19H2
InChIKeyJVWTYHLARFHMIV-UHFFFAOYSA-N
MW284.28 g/mol
LogP3.23
Rot. Bonds2

About 4-(3-aminocyclohexyl)oxy-2-(trifluoromethyl)benzonitrile

4-(3-aminocyclohexyl)oxy-2-(trifluoromethyl)benzonitrile (PubChem CID 79466047) has the molecular formula C14H15F3N2O and a molecular weight of 284.28 g/mol. Its IUPAC name is 4-(3-aminocyclohexyl)oxy-2-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name4-(3-aminocyclohexyl)oxy-2-(trifluoromethyl)benzonitrile
PubChem CID79466047
Molecular FormulaC14H15F3N2O
Molecular Weight284.28 g/mol
Exact Mass284.11
IUPAC Name4-(3-aminocyclohexyl)oxy-2-(trifluoromethyl)benzonitrile
SMILESN#Cc1ccc(OC2CCCC(N)C2)cc1C(F)(F)F
InChIInChI=1S/C14H15F3N2O/c15-14(16,17)13-7-12(5-4-9(13)8-18)20-11-3-1-2-10(19)6-11/h4-5,7,10-11H,1-3,6,19H2
InChIKeyJVWTYHLARFHMIV-UHFFFAOYSA-N
XLogP3.23
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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

Analyze 4-(3-aminocyclohexyl)oxy-2-(trifluoromethyl)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-cyclobutyloxy-2-(trifluoromethyl)benzonitrile
CID 46181472
2-(3-aminocyclohexyl)oxybenzonitrile
CID 79465738
4-(piperidin-2-ylmethoxy)-2-(trifluoromethyl)benzonitrile
CID 62349150
4-[5-[4-cyano-3-(trifluoromethyl)phenoxy]pentoxy]-2-(trifluoromethyl)benzonitrile
CID 11517854
4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxy-2-(trifluoromethyl)benzonitrile
CID 155219080
5-(oxetan-3-yloxy)-2-(trifluoromethyl)benzonitrile
CID 102606270
2-chloro-4-[(1R,3R)-3-methylcyclohexyl]oxybenzonitrile
CID 58587579
4-[3-[4-cyano-3-(trifluoromethyl)phenoxy]propoxy]-2-(trifluoromethyl)benzonitrile
CID 11546106
N-[4-[4-cyano-3-(trifluoromethyl)phenoxy]cyclohexyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide
CID 166981032
4-(2-piperidin-2-ylethoxy)-2-(trifluoromethyl)benzonitrile
CID 62348975
4-(2-pyrrolidin-1-ylethoxy)-2-(trifluoromethyl)benzonitrile
CID 61104600
4-(4-methylphenoxy)-2-(trifluoromethyl)benzonitrile
CID 43138559

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminocyclohexyl)oxy-2-(trifluoromethyl)benzonitrile?
The IUPAC name of 4-(3-aminocyclohexyl)oxy-2-(trifluoromethyl)benzonitrile (CID 79466047) is 4-(3-aminocyclohexyl)oxy-2-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 4-(3-aminocyclohexyl)oxy-2-(trifluoromethyl)benzonitrile?
The canonical SMILES for 4-(3-aminocyclohexyl)oxy-2-(trifluoromethyl)benzonitrile is N#Cc1ccc(OC2CCCC(N)C2)cc1C(F)(F)F.
What is the InChIKey of 4-(3-aminocyclohexyl)oxy-2-(trifluoromethyl)benzonitrile?
The InChIKey is JVWTYHLARFHMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O/c15-14(16,17)13-7-12(5-4-9(13)8-18)20-11-3-1-2-10(19)6-11/h4-5,7,10-11H,1-3,6,19H2.
What are the key properties of 4-(3-aminocyclohexyl)oxy-2-(trifluoromethyl)benzonitrile?
4-(3-aminocyclohexyl)oxy-2-(trifluoromethyl)benzonitrile has a molecular weight of 284.28 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminocyclohexyl)oxy-2-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 79466047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).