N-[[2-(trifluoromethyl)phenyl]methyl]oxan-4-amine

C13H16F3NO — CID 43609727

IUPACN-[[2-(trifluoromethyl)phenyl]methyl]oxan-4-amine
SMILESFC(F)(F)c1ccccc1CNC1CCOCC1
InChIInChI=1S/C13H16F3NO/c14-13(15,16)12-4-2-1-3-10(12)9-17-11-5-7-18-8-6-11/h1-4,11,17H,5-9H2
InChIKeyMOEKERBICLEGAU-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.97
Rot. Bonds3

About N-[[2-(trifluoromethyl)phenyl]methyl]oxan-4-amine

N-[[2-(trifluoromethyl)phenyl]methyl]oxan-4-amine (PubChem CID 43609727) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is N-[[2-(trifluoromethyl)phenyl]methyl]oxan-4-amine.

Molecular Properties

Compound NameN-[[2-(trifluoromethyl)phenyl]methyl]oxan-4-amine
PubChem CID43609727
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC NameN-[[2-(trifluoromethyl)phenyl]methyl]oxan-4-amine
SMILESFC(F)(F)c1ccccc1CNC1CCOCC1
InChIInChI=1S/C13H16F3NO/c14-13(15,16)12-4-2-1-3-10(12)9-17-11-5-7-18-8-6-11/h1-4,11,17H,5-9H2
InChIKeyMOEKERBICLEGAU-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(trifluoromethyl)phenyl]methyl]oxan-4-amine?
The IUPAC name of N-[[2-(trifluoromethyl)phenyl]methyl]oxan-4-amine (CID 43609727) is N-[[2-(trifluoromethyl)phenyl]methyl]oxan-4-amine.
What is the SMILES notation for N-[[2-(trifluoromethyl)phenyl]methyl]oxan-4-amine?
The canonical SMILES for N-[[2-(trifluoromethyl)phenyl]methyl]oxan-4-amine is FC(F)(F)c1ccccc1CNC1CCOCC1.
What is the InChIKey of N-[[2-(trifluoromethyl)phenyl]methyl]oxan-4-amine?
The InChIKey is MOEKERBICLEGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c14-13(15,16)12-4-2-1-3-10(12)9-17-11-5-7-18-8-6-11/h1-4,11,17H,5-9H2.
What are the key properties of N-[[2-(trifluoromethyl)phenyl]methyl]oxan-4-amine?
N-[[2-(trifluoromethyl)phenyl]methyl]oxan-4-amine has a molecular weight of 259.27 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(trifluoromethyl)phenyl]methyl]oxan-4-amine is sourced from PubChem (CID 43609727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).