4-methyl-N-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]oxan-4-amine

C14H19F3N2O — CID 155154310

IUPAC4-methyl-N-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]oxan-4-amine
SMILESCC1(NCCc2cccc(C(F)(F)F)n2)CCOCC1
InChIInChI=1S/C14H19F3N2O/c1-13(6-9-20-10-7-13)18-8-5-11-3-2-4-12(19-11)14(15,16)17/h2-4,18H,5-10H2,1H3
InChIKeyLXSROBGKXZRMBJ-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.80
Rot. Bonds4

About 4-methyl-N-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]oxan-4-amine

4-methyl-N-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]oxan-4-amine (PubChem CID 155154310) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 4-methyl-N-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]oxan-4-amine.

Molecular Properties

Compound Name4-methyl-N-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]oxan-4-amine
PubChem CID155154310
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name4-methyl-N-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]oxan-4-amine
SMILESCC1(NCCc2cccc(C(F)(F)F)n2)CCOCC1
InChIInChI=1S/C14H19F3N2O/c1-13(6-9-20-10-7-13)18-8-5-11-3-2-4-12(19-11)14(15,16)17/h2-4,18H,5-10H2,1H3
InChIKeyLXSROBGKXZRMBJ-UHFFFAOYSA-N
XLogP2.80
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]oxan-4-amine?
The IUPAC name of 4-methyl-N-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]oxan-4-amine (CID 155154310) is 4-methyl-N-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]oxan-4-amine.
What is the SMILES notation for 4-methyl-N-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]oxan-4-amine?
The canonical SMILES for 4-methyl-N-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]oxan-4-amine is CC1(NCCc2cccc(C(F)(F)F)n2)CCOCC1.
What is the InChIKey of 4-methyl-N-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]oxan-4-amine?
The InChIKey is LXSROBGKXZRMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-13(6-9-20-10-7-13)18-8-5-11-3-2-4-12(19-11)14(15,16)17/h2-4,18H,5-10H2,1H3.
What are the key properties of 4-methyl-N-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]oxan-4-amine?
4-methyl-N-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]oxan-4-amine has a molecular weight of 288.31 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]oxan-4-amine is sourced from PubChem (CID 155154310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).