1-(1-ethylpyrrolidin-3-yl)-2-[2-(trifluoromethyl)phenoxy]ethanamine

C15H21F3N2O — CID 117237301

IUPAC1-(1-ethylpyrrolidin-3-yl)-2-[2-(trifluoromethyl)phenoxy]ethanamine
SMILESCCN1CCC(C(N)COc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C15H21F3N2O/c1-2-20-8-7-11(9-20)13(19)10-21-14-6-4-3-5-12(14)15(16,17)18/h3-6,11,13H,2,7-10,19H2,1H3
InChIKeyHJWBWDBTPWIWGZ-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.75
Rot. Bonds5

About 1-(1-ethylpyrrolidin-3-yl)-2-[2-(trifluoromethyl)phenoxy]ethanamine

1-(1-ethylpyrrolidin-3-yl)-2-[2-(trifluoromethyl)phenoxy]ethanamine (PubChem CID 117237301) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is 1-(1-ethylpyrrolidin-3-yl)-2-[2-(trifluoromethyl)phenoxy]ethanamine.

Molecular Properties

Compound Name1-(1-ethylpyrrolidin-3-yl)-2-[2-(trifluoromethyl)phenoxy]ethanamine
PubChem CID117237301
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC Name1-(1-ethylpyrrolidin-3-yl)-2-[2-(trifluoromethyl)phenoxy]ethanamine
SMILESCCN1CCC(C(N)COc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C15H21F3N2O/c1-2-20-8-7-11(9-20)13(19)10-21-14-6-4-3-5-12(14)15(16,17)18/h3-6,11,13H,2,7-10,19H2,1H3
InChIKeyHJWBWDBTPWIWGZ-UHFFFAOYSA-N
XLogP2.75
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1-ethylpyrrolidin-3-yl)-2-[2-(trifluoromethyl)phenoxy]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

2-[2-amino-2-(1-ethylpyrrolidin-3-yl)ethoxy]phenol
CID 117237323
2-[2-amino-2-(1-methylpyrrolidin-3-yl)ethoxy]phenol
CID 117237295
2-(1-methylpiperidin-4-yl)-3-[2-(trifluoromethyl)phenoxy]propan-1-ol
CID 117239219
1-(1-ethylpiperidin-4-yl)-2-(4-fluorophenoxy)ethanamine
CID 117238931
2-[2-amino-2-(1-propan-2-ylpyrrolidin-3-yl)ethoxy]phenol
CID 117237325
4-methoxy-1-[2-(trifluoromethyl)phenoxy]butan-2-amine
CID 117236717
1-cyclobutyl-2-[2-(trifluoromethyl)phenoxy]ethanol
CID 117245560
2-(2-tert-butylphenoxy)-1-(oxolan-3-yl)ethanamine
CID 104748355
3-(2-chlorophenoxy)-2-(1-ethylpiperidin-4-yl)propan-1-amine
CID 117239255
4,4-dimethyl-1-[2-(trifluoromethyl)phenoxy]pentan-2-amine
CID 117241683
1-cyclopropyl-2-(2-propoxyphenoxy)ethanamine
CID 63913161
4-methyl-1-[2-(trifluoromethyl)phenoxy]pentan-2-amine
CID 117241681

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrrolidin-3-yl)-2-[2-(trifluoromethyl)phenoxy]ethanamine?
The IUPAC name of 1-(1-ethylpyrrolidin-3-yl)-2-[2-(trifluoromethyl)phenoxy]ethanamine (CID 117237301) is 1-(1-ethylpyrrolidin-3-yl)-2-[2-(trifluoromethyl)phenoxy]ethanamine.
What is the SMILES notation for 1-(1-ethylpyrrolidin-3-yl)-2-[2-(trifluoromethyl)phenoxy]ethanamine?
The canonical SMILES for 1-(1-ethylpyrrolidin-3-yl)-2-[2-(trifluoromethyl)phenoxy]ethanamine is CCN1CCC(C(N)COc2ccccc2C(F)(F)F)C1.
What is the InChIKey of 1-(1-ethylpyrrolidin-3-yl)-2-[2-(trifluoromethyl)phenoxy]ethanamine?
The InChIKey is HJWBWDBTPWIWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-2-20-8-7-11(9-20)13(19)10-21-14-6-4-3-5-12(14)15(16,17)18/h3-6,11,13H,2,7-10,19H2,1H3.
What are the key properties of 1-(1-ethylpyrrolidin-3-yl)-2-[2-(trifluoromethyl)phenoxy]ethanamine?
1-(1-ethylpyrrolidin-3-yl)-2-[2-(trifluoromethyl)phenoxy]ethanamine has a molecular weight of 302.34 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrrolidin-3-yl)-2-[2-(trifluoromethyl)phenoxy]ethanamine is sourced from PubChem (CID 117237301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).