2-[2-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-dioxolan-4-yl]ethanamine

C13H16F3NO2 — CID 117169800

IUPAC2-[2-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-dioxolan-4-yl]ethanamine
SMILESCC1(c2cccc(C(F)(F)F)c2)OCC(CCN)O1
InChIInChI=1S/C13H16F3NO2/c1-12(18-8-11(19-12)5-6-17)9-3-2-4-10(7-9)13(14,15)16/h2-4,7,11H,5-6,8,17H2,1H3
InChIKeyLSDLORUOTOWPCI-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.64
Rot. Bonds3

About 2-[2-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-dioxolan-4-yl]ethanamine

2-[2-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-dioxolan-4-yl]ethanamine (PubChem CID 117169800) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is 2-[2-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-dioxolan-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-dioxolan-4-yl]ethanamine
PubChem CID117169800
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Name2-[2-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-dioxolan-4-yl]ethanamine
SMILESCC1(c2cccc(C(F)(F)F)c2)OCC(CCN)O1
InChIInChI=1S/C13H16F3NO2/c1-12(18-8-11(19-12)5-6-17)9-3-2-4-10(7-9)13(14,15)16/h2-4,7,11H,5-6,8,17H2,1H3
InChIKeyLSDLORUOTOWPCI-UHFFFAOYSA-N
XLogP2.64
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-dioxolan-4-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-dioxolan-4-yl]ethanamine?
The IUPAC name of 2-[2-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-dioxolan-4-yl]ethanamine (CID 117169800) is 2-[2-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-dioxolan-4-yl]ethanamine.
What is the SMILES notation for 2-[2-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-dioxolan-4-yl]ethanamine?
The canonical SMILES for 2-[2-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-dioxolan-4-yl]ethanamine is CC1(c2cccc(C(F)(F)F)c2)OCC(CCN)O1.
What is the InChIKey of 2-[2-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-dioxolan-4-yl]ethanamine?
The InChIKey is LSDLORUOTOWPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-12(18-8-11(19-12)5-6-17)9-3-2-4-10(7-9)13(14,15)16/h2-4,7,11H,5-6,8,17H2,1H3.
What are the key properties of 2-[2-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-dioxolan-4-yl]ethanamine?
2-[2-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-dioxolan-4-yl]ethanamine has a molecular weight of 275.27 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-dioxolan-4-yl]ethanamine is sourced from PubChem (CID 117169800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).