N-ethyl-2-(oxetan-3-yloxy)-1-[3-(trifluoromethyl)phenyl]ethanamine

C14H18F3NO2 — CID 102606046

IUPACN-ethyl-2-(oxetan-3-yloxy)-1-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCCNC(COC1COC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H18F3NO2/c1-2-18-13(9-20-12-7-19-8-12)10-4-3-5-11(6-10)14(15,16)17/h3-6,12-13,18H,2,7-9H2,1H3
InChIKeyUXQSEAUIRNUTAT-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.77
Rot. Bonds6

About N-ethyl-2-(oxetan-3-yloxy)-1-[3-(trifluoromethyl)phenyl]ethanamine

N-ethyl-2-(oxetan-3-yloxy)-1-[3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 102606046) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is N-ethyl-2-(oxetan-3-yloxy)-1-[3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(oxetan-3-yloxy)-1-[3-(trifluoromethyl)phenyl]ethanamine
PubChem CID102606046
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC NameN-ethyl-2-(oxetan-3-yloxy)-1-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCCNC(COC1COC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H18F3NO2/c1-2-18-13(9-20-12-7-19-8-12)10-4-3-5-11(6-10)14(15,16)17/h3-6,12-13,18H,2,7-9H2,1H3
InChIKeyUXQSEAUIRNUTAT-UHFFFAOYSA-N
XLogP2.77
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-2-(oxetan-3-yloxy)-1-[3-(trifluoromethyl)phenyl]ethanamine with MolForge

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

Launch Full Analysis

Related Compounds

N-ethyl-1-(3-methylphenyl)-2-(oxolan-3-yloxy)ethanamine
CID 55218952
N,3-diethyl-1-[3-(trifluoromethyl)phenyl]pentan-1-amine
CID 82920537
1-(4-ethoxyphenyl)-N-ethyl-2-(oxetan-3-yloxy)ethanamine
CID 102606061
N-ethyl-2-propan-2-ylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 64633057
4-ethoxy-N-ethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 105141419
N-ethyl-4-methoxy-1-[3-(trifluoromethyl)phenyl]pentan-1-amine
CID 105141438
N-ethyl-3-(oxolan-2-yl)-1-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 65166820
N-ethyl-2-(3-methylbutylsulfanyl)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 107764275
N-methyl-2-(oxolan-3-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 103986937
N-[oxan-3-yl-[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 65332476
N-ethyl-2-propan-2-ylsulfonyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 64675011
2-ethoxy-N-ethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 116716969

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(oxetan-3-yloxy)-1-[3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of N-ethyl-2-(oxetan-3-yloxy)-1-[3-(trifluoromethyl)phenyl]ethanamine (CID 102606046) is N-ethyl-2-(oxetan-3-yloxy)-1-[3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for N-ethyl-2-(oxetan-3-yloxy)-1-[3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for N-ethyl-2-(oxetan-3-yloxy)-1-[3-(trifluoromethyl)phenyl]ethanamine is CCNC(COC1COC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-ethyl-2-(oxetan-3-yloxy)-1-[3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is UXQSEAUIRNUTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO2/c1-2-18-13(9-20-12-7-19-8-12)10-4-3-5-11(6-10)14(15,16)17/h3-6,12-13,18H,2,7-9H2,1H3.
What are the key properties of N-ethyl-2-(oxetan-3-yloxy)-1-[3-(trifluoromethyl)phenyl]ethanamine?
N-ethyl-2-(oxetan-3-yloxy)-1-[3-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 289.30 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(oxetan-3-yloxy)-1-[3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 102606046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).