N-(2-cyclohexyloxyethyl)-4-(trifluoromethyl)pyridin-2-amine

C14H19F3N2O — CID 66329856

IUPACN-(2-cyclohexyloxyethyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccnc(NCCOC2CCCCC2)c1
InChIInChI=1S/C14H19F3N2O/c15-14(16,17)11-6-7-18-13(10-11)19-8-9-20-12-4-2-1-3-5-12/h6-7,10,12H,1-5,8-9H2,(H,18,19)
InChIKeyITOXBQJUUHSNQG-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.86
Rot. Bonds5

About N-(2-cyclohexyloxyethyl)-4-(trifluoromethyl)pyridin-2-amine

N-(2-cyclohexyloxyethyl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 66329856) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is N-(2-cyclohexyloxyethyl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(2-cyclohexyloxyethyl)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID66329856
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC NameN-(2-cyclohexyloxyethyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccnc(NCCOC2CCCCC2)c1
InChIInChI=1S/C14H19F3N2O/c15-14(16,17)11-6-7-18-13(10-11)19-8-9-20-12-4-2-1-3-5-12/h6-7,10,12H,1-5,8-9H2,(H,18,19)
InChIKeyITOXBQJUUHSNQG-UHFFFAOYSA-N
XLogP3.86
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyloxyethyl)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(2-cyclohexyloxyethyl)-4-(trifluoromethyl)pyridin-2-amine (CID 66329856) is N-(2-cyclohexyloxyethyl)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(2-cyclohexyloxyethyl)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(2-cyclohexyloxyethyl)-4-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1ccnc(NCCOC2CCCCC2)c1.
What is the InChIKey of N-(2-cyclohexyloxyethyl)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is ITOXBQJUUHSNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c15-14(16,17)11-6-7-18-13(10-11)19-8-9-20-12-4-2-1-3-5-12/h6-7,10,12H,1-5,8-9H2,(H,18,19).
What are the key properties of N-(2-cyclohexyloxyethyl)-4-(trifluoromethyl)pyridin-2-amine?
N-(2-cyclohexyloxyethyl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 288.31 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyloxyethyl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 66329856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).