2-[2-methoxy-4-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-N,N-dimethylethanamine

C11H17F3N2O — CID 166008876

IUPAC2-[2-methoxy-4-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-N,N-dimethylethanamine
SMILESCOC1C=C(C(F)(F)F)C(CCN(C)C)=CN1
InChIInChI=1S/C11H17F3N2O/c1-16(2)5-4-8-7-15-10(17-3)6-9(8)11(12,13)14/h6-7,10,15H,4-5H2,1-3H3
InChIKeyQRYYPFUYVKWNRK-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.89
Rot. Bonds4

About 2-[2-methoxy-4-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-N,N-dimethylethanamine

2-[2-methoxy-4-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-N,N-dimethylethanamine (PubChem CID 166008876) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is 2-[2-methoxy-4-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[2-methoxy-4-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-N,N-dimethylethanamine
PubChem CID166008876
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC Name2-[2-methoxy-4-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-N,N-dimethylethanamine
SMILESCOC1C=C(C(F)(F)F)C(CCN(C)C)=CN1
InChIInChI=1S/C11H17F3N2O/c1-16(2)5-4-8-7-15-10(17-3)6-9(8)11(12,13)14/h6-7,10,15H,4-5H2,1-3H3
InChIKeyQRYYPFUYVKWNRK-UHFFFAOYSA-N
XLogP1.89
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[2-methoxy-4-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-N,N-dimethylethanamine (CID 166008876) is 2-[2-methoxy-4-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[2-methoxy-4-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[2-methoxy-4-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-N,N-dimethylethanamine is COC1C=C(C(F)(F)F)C(CCN(C)C)=CN1.
What is the InChIKey of 2-[2-methoxy-4-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-N,N-dimethylethanamine?
The InChIKey is QRYYPFUYVKWNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O/c1-16(2)5-4-8-7-15-10(17-3)6-9(8)11(12,13)14/h6-7,10,15H,4-5H2,1-3H3.
What are the key properties of 2-[2-methoxy-4-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-N,N-dimethylethanamine?
2-[2-methoxy-4-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-N,N-dimethylethanamine has a molecular weight of 250.26 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 166008876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).