(3S,4R)-3-methoxy-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxan-4-amine

C13H17F3N2O2 — CID 163382898

IUPAC(3S,4R)-3-methoxy-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxan-4-amine
SMILESCO[C@@H]1COCC[C@H]1NCc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C13H17F3N2O2/c1-19-12-8-20-5-4-11(12)18-7-10-3-2-9(6-17-10)13(14,15)16/h2-3,6,11-12,18H,4-5,7-8H2,1H3/t11-,12-/m1/s1
InChIKeyKMENNTWXNUDIIE-VXGBXAGGSA-N
MW290.29 g/mol
LogP1.99
Rot. Bonds4

About (3S,4R)-3-methoxy-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxan-4-amine

(3S,4R)-3-methoxy-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxan-4-amine (PubChem CID 163382898) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.29 g/mol. Its IUPAC name is (3S,4R)-3-methoxy-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxan-4-amine.

Molecular Properties

Compound Name(3S,4R)-3-methoxy-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxan-4-amine
PubChem CID163382898
Molecular FormulaC13H17F3N2O2
Molecular Weight290.29 g/mol
Exact Mass290.12
IUPAC Name(3S,4R)-3-methoxy-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxan-4-amine
SMILESCO[C@@H]1COCC[C@H]1NCc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C13H17F3N2O2/c1-19-12-8-20-5-4-11(12)18-7-10-3-2-9(6-17-10)13(14,15)16/h2-3,6,11-12,18H,4-5,7-8H2,1H3/t11-,12-/m1/s1
InChIKeyKMENNTWXNUDIIE-VXGBXAGGSA-N
XLogP1.99
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-methoxy-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxan-4-amine?
The IUPAC name of (3S,4R)-3-methoxy-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxan-4-amine (CID 163382898) is (3S,4R)-3-methoxy-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxan-4-amine.
What is the SMILES notation for (3S,4R)-3-methoxy-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxan-4-amine?
The canonical SMILES for (3S,4R)-3-methoxy-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxan-4-amine is CO[C@@H]1COCC[C@H]1NCc1ccc(C(F)(F)F)cn1.
What is the InChIKey of (3S,4R)-3-methoxy-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxan-4-amine?
The InChIKey is KMENNTWXNUDIIE-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c1-19-12-8-20-5-4-11(12)18-7-10-3-2-9(6-17-10)13(14,15)16/h2-3,6,11-12,18H,4-5,7-8H2,1H3/t11-,12-/m1/s1.
What are the key properties of (3S,4R)-3-methoxy-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxan-4-amine?
(3S,4R)-3-methoxy-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxan-4-amine has a molecular weight of 290.29 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-methoxy-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxan-4-amine is sourced from PubChem (CID 163382898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).