2-methyl-4-[6-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]morpholine

C14H19F3N2O — CID 155161747

IUPAC2-methyl-4-[6-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]morpholine
SMILESCC1CN(c2ccc(C(F)(F)F)c(C(C)C)n2)CCO1
InChIInChI=1S/C14H19F3N2O/c1-9(2)13-11(14(15,16)17)4-5-12(18-13)19-6-7-20-10(3)8-19/h4-5,9-10H,6-8H2,1-3H3
InChIKeyGBKZUQKBWLPNTG-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.45
Rot. Bonds2

About 2-methyl-4-[6-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]morpholine

2-methyl-4-[6-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]morpholine (PubChem CID 155161747) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-methyl-4-[6-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]morpholine.

Molecular Properties

Compound Name2-methyl-4-[6-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]morpholine
PubChem CID155161747
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name2-methyl-4-[6-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]morpholine
SMILESCC1CN(c2ccc(C(F)(F)F)c(C(C)C)n2)CCO1
InChIInChI=1S/C14H19F3N2O/c1-9(2)13-11(14(15,16)17)4-5-12(18-13)19-6-7-20-10(3)8-19/h4-5,9-10H,6-8H2,1-3H3
InChIKeyGBKZUQKBWLPNTG-UHFFFAOYSA-N
XLogP3.45
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[6-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]morpholine?
The IUPAC name of 2-methyl-4-[6-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]morpholine (CID 155161747) is 2-methyl-4-[6-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]morpholine.
What is the SMILES notation for 2-methyl-4-[6-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]morpholine?
The canonical SMILES for 2-methyl-4-[6-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]morpholine is CC1CN(c2ccc(C(F)(F)F)c(C(C)C)n2)CCO1.
What is the InChIKey of 2-methyl-4-[6-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]morpholine?
The InChIKey is GBKZUQKBWLPNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-9(2)13-11(14(15,16)17)4-5-12(18-13)19-6-7-20-10(3)8-19/h4-5,9-10H,6-8H2,1-3H3.
What are the key properties of 2-methyl-4-[6-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]morpholine?
2-methyl-4-[6-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]morpholine has a molecular weight of 288.31 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[6-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]morpholine is sourced from PubChem (CID 155161747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).