6-(1-methoxypropan-2-yloxy)-N-propyl-4-(trifluoromethyl)pyridin-2-amine

C13H19F3N2O2 — CID 102719984

IUPAC6-(1-methoxypropan-2-yloxy)-N-propyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCCCNc1cc(C(F)(F)F)cc(OC(C)COC)n1
InChIInChI=1S/C13H19F3N2O2/c1-4-5-17-11-6-10(13(14,15)16)7-12(18-11)20-9(2)8-19-3/h6-7,9H,4-5,8H2,1-3H3,(H,17,18)
InChIKeyYWNYJQHIDCVNNU-UHFFFAOYSA-N
MW292.30 g/mol
LogP3.34
Rot. Bonds7

About 6-(1-methoxypropan-2-yloxy)-N-propyl-4-(trifluoromethyl)pyridin-2-amine

6-(1-methoxypropan-2-yloxy)-N-propyl-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102719984) has the molecular formula C13H19F3N2O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is 6-(1-methoxypropan-2-yloxy)-N-propyl-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-(1-methoxypropan-2-yloxy)-N-propyl-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102719984
Molecular FormulaC13H19F3N2O2
Molecular Weight292.30 g/mol
Exact Mass292.14
IUPAC Name6-(1-methoxypropan-2-yloxy)-N-propyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCCCNc1cc(C(F)(F)F)cc(OC(C)COC)n1
InChIInChI=1S/C13H19F3N2O2/c1-4-5-17-11-6-10(13(14,15)16)7-12(18-11)20-9(2)8-19-3/h6-7,9H,4-5,8H2,1-3H3,(H,17,18)
InChIKeyYWNYJQHIDCVNNU-UHFFFAOYSA-N
XLogP3.34
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methoxypropan-2-yloxy)-N-propyl-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-(1-methoxypropan-2-yloxy)-N-propyl-4-(trifluoromethyl)pyridin-2-amine (CID 102719984) is 6-(1-methoxypropan-2-yloxy)-N-propyl-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-(1-methoxypropan-2-yloxy)-N-propyl-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-(1-methoxypropan-2-yloxy)-N-propyl-4-(trifluoromethyl)pyridin-2-amine is CCCNc1cc(C(F)(F)F)cc(OC(C)COC)n1.
What is the InChIKey of 6-(1-methoxypropan-2-yloxy)-N-propyl-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is YWNYJQHIDCVNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O2/c1-4-5-17-11-6-10(13(14,15)16)7-12(18-11)20-9(2)8-19-3/h6-7,9H,4-5,8H2,1-3H3,(H,17,18).
What are the key properties of 6-(1-methoxypropan-2-yloxy)-N-propyl-4-(trifluoromethyl)pyridin-2-amine?
6-(1-methoxypropan-2-yloxy)-N-propyl-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 292.30 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methoxypropan-2-yloxy)-N-propyl-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102719984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).