4-[2-[3-methyl-5-(trifluoromethoxy)phenyl]ethyl]oxolan-3-amine

C14H18F3NO2 — CID 118600979

IUPAC4-[2-[3-methyl-5-(trifluoromethoxy)phenyl]ethyl]oxolan-3-amine
SMILESCc1cc(CCC2COCC2N)cc(OC(F)(F)F)c1
InChIInChI=1S/C14H18F3NO2/c1-9-4-10(2-3-11-7-19-8-13(11)18)6-12(5-9)20-14(15,16)17/h4-6,11,13H,2-3,7-8,18H2,1H3
InChIKeyMTGXEDJKQXQHSK-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.80
Rot. Bonds4

About 4-[2-[3-methyl-5-(trifluoromethoxy)phenyl]ethyl]oxolan-3-amine

4-[2-[3-methyl-5-(trifluoromethoxy)phenyl]ethyl]oxolan-3-amine (PubChem CID 118600979) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is 4-[2-[3-methyl-5-(trifluoromethoxy)phenyl]ethyl]oxolan-3-amine.

Molecular Properties

Compound Name4-[2-[3-methyl-5-(trifluoromethoxy)phenyl]ethyl]oxolan-3-amine
PubChem CID118600979
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC Name4-[2-[3-methyl-5-(trifluoromethoxy)phenyl]ethyl]oxolan-3-amine
SMILESCc1cc(CCC2COCC2N)cc(OC(F)(F)F)c1
InChIInChI=1S/C14H18F3NO2/c1-9-4-10(2-3-11-7-19-8-13(11)18)6-12(5-9)20-14(15,16)17/h4-6,11,13H,2-3,7-8,18H2,1H3
InChIKeyMTGXEDJKQXQHSK-UHFFFAOYSA-N
XLogP2.80
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[2-[3-methyl-5-(trifluoromethoxy)phenyl]ethyl]oxolan-3-amine 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 4-[2-[3-methyl-5-(trifluoromethoxy)phenyl]ethyl]oxolan-3-amine?
The IUPAC name of 4-[2-[3-methyl-5-(trifluoromethoxy)phenyl]ethyl]oxolan-3-amine (CID 118600979) is 4-[2-[3-methyl-5-(trifluoromethoxy)phenyl]ethyl]oxolan-3-amine.
What is the SMILES notation for 4-[2-[3-methyl-5-(trifluoromethoxy)phenyl]ethyl]oxolan-3-amine?
The canonical SMILES for 4-[2-[3-methyl-5-(trifluoromethoxy)phenyl]ethyl]oxolan-3-amine is Cc1cc(CCC2COCC2N)cc(OC(F)(F)F)c1.
What is the InChIKey of 4-[2-[3-methyl-5-(trifluoromethoxy)phenyl]ethyl]oxolan-3-amine?
The InChIKey is MTGXEDJKQXQHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO2/c1-9-4-10(2-3-11-7-19-8-13(11)18)6-12(5-9)20-14(15,16)17/h4-6,11,13H,2-3,7-8,18H2,1H3.
What are the key properties of 4-[2-[3-methyl-5-(trifluoromethoxy)phenyl]ethyl]oxolan-3-amine?
4-[2-[3-methyl-5-(trifluoromethoxy)phenyl]ethyl]oxolan-3-amine has a molecular weight of 289.30 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-methyl-5-(trifluoromethoxy)phenyl]ethyl]oxolan-3-amine is sourced from PubChem (CID 118600979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).