N-(pyridin-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

C14H19F3N2O — CID 43435230

IUPACN-(pyridin-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESFC(F)(F)COC1CCCC(NCc2ccccn2)C1
InChIInChI=1S/C14H19F3N2O/c15-14(16,17)10-20-13-6-3-5-11(8-13)19-9-12-4-1-2-7-18-12/h1-2,4,7,11,13,19H,3,5-6,8-10H2
InChIKeyORSVSPNFDQTCDN-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.06
Rot. Bonds5

About N-(pyridin-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

N-(pyridin-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (PubChem CID 43435230) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
PubChem CID43435230
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC NameN-(pyridin-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESFC(F)(F)COC1CCCC(NCc2ccccn2)C1
InChIInChI=1S/C14H19F3N2O/c15-14(16,17)10-20-13-6-3-5-11(8-13)19-9-12-4-1-2-7-18-12/h1-2,4,7,11,13,19H,3,5-6,8-10H2
InChIKeyORSVSPNFDQTCDN-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The IUPAC name of N-(pyridin-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (CID 43435230) is N-(pyridin-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The canonical SMILES for N-(pyridin-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is FC(F)(F)COC1CCCC(NCc2ccccn2)C1.
What is the InChIKey of N-(pyridin-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The InChIKey is ORSVSPNFDQTCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c15-14(16,17)10-20-13-6-3-5-11(8-13)19-9-12-4-1-2-7-18-12/h1-2,4,7,11,13,19H,3,5-6,8-10H2.
What are the key properties of N-(pyridin-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
N-(pyridin-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine has a molecular weight of 288.31 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is sourced from PubChem (CID 43435230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).