N-[[6-ethyl-3-(oxolan-3-yl)-2-pyridinyl]methyl]-2,2,2-trifluoro-N-methylethanamine

C15H21F3N2O — CID 156651300

IUPACN-[[6-ethyl-3-(oxolan-3-yl)-2-pyridinyl]methyl]-2,2,2-trifluoro-N-methylethanamine
SMILESCCc1ccc(C2CCOC2)c(CN(C)CC(F)(F)F)n1
InChIInChI=1S/C15H21F3N2O/c1-3-12-4-5-13(11-6-7-21-9-11)14(19-12)8-20(2)10-15(16,17)18/h4-5,11H,3,6-10H2,1-2H3
InChIKeyMHFWCEOTJCVOMY-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.14
Rot. Bonds5

About N-[[6-ethyl-3-(oxolan-3-yl)-2-pyridinyl]methyl]-2,2,2-trifluoro-N-methylethanamine

N-[[6-ethyl-3-(oxolan-3-yl)-2-pyridinyl]methyl]-2,2,2-trifluoro-N-methylethanamine (PubChem CID 156651300) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is N-[[6-ethyl-3-(oxolan-3-yl)-2-pyridinyl]methyl]-2,2,2-trifluoro-N-methylethanamine.

Molecular Properties

Compound NameN-[[6-ethyl-3-(oxolan-3-yl)-2-pyridinyl]methyl]-2,2,2-trifluoro-N-methylethanamine
PubChem CID156651300
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC NameN-[[6-ethyl-3-(oxolan-3-yl)-2-pyridinyl]methyl]-2,2,2-trifluoro-N-methylethanamine
SMILESCCc1ccc(C2CCOC2)c(CN(C)CC(F)(F)F)n1
InChIInChI=1S/C15H21F3N2O/c1-3-12-4-5-13(11-6-7-21-9-11)14(19-12)8-20(2)10-15(16,17)18/h4-5,11H,3,6-10H2,1-2H3
InChIKeyMHFWCEOTJCVOMY-UHFFFAOYSA-N
XLogP3.14
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[6-ethyl-3-(oxolan-3-yl)-2-pyridinyl]methyl]-2,2,2-trifluoro-N-methylethanamine?
The IUPAC name of N-[[6-ethyl-3-(oxolan-3-yl)-2-pyridinyl]methyl]-2,2,2-trifluoro-N-methylethanamine (CID 156651300) is N-[[6-ethyl-3-(oxolan-3-yl)-2-pyridinyl]methyl]-2,2,2-trifluoro-N-methylethanamine.
What is the SMILES notation for N-[[6-ethyl-3-(oxolan-3-yl)-2-pyridinyl]methyl]-2,2,2-trifluoro-N-methylethanamine?
The canonical SMILES for N-[[6-ethyl-3-(oxolan-3-yl)-2-pyridinyl]methyl]-2,2,2-trifluoro-N-methylethanamine is CCc1ccc(C2CCOC2)c(CN(C)CC(F)(F)F)n1.
What is the InChIKey of N-[[6-ethyl-3-(oxolan-3-yl)-2-pyridinyl]methyl]-2,2,2-trifluoro-N-methylethanamine?
The InChIKey is MHFWCEOTJCVOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-3-12-4-5-13(11-6-7-21-9-11)14(19-12)8-20(2)10-15(16,17)18/h4-5,11H,3,6-10H2,1-2H3.
What are the key properties of N-[[6-ethyl-3-(oxolan-3-yl)-2-pyridinyl]methyl]-2,2,2-trifluoro-N-methylethanamine?
N-[[6-ethyl-3-(oxolan-3-yl)-2-pyridinyl]methyl]-2,2,2-trifluoro-N-methylethanamine has a molecular weight of 302.34 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-ethyl-3-(oxolan-3-yl)-2-pyridinyl]methyl]-2,2,2-trifluoro-N-methylethanamine is sourced from PubChem (CID 156651300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).