2-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(2-methoxyethyl)pyrrolidin-3-amine

C14H18F4N2O — CID 115350631

IUPAC2-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(2-methoxyethyl)pyrrolidin-3-amine
SMILESCOCCN1CCC(N)C1c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C14H18F4N2O/c1-21-5-4-20-3-2-12(19)13(20)9-6-10(14(16,17)18)8-11(15)7-9/h6-8,12-13H,2-5,19H2,1H3
InChIKeyZUCJDMNBPMEOJQ-UHFFFAOYSA-N
MW306.30 g/mol
LogP2.57
Rot. Bonds4

About 2-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(2-methoxyethyl)pyrrolidin-3-amine

2-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(2-methoxyethyl)pyrrolidin-3-amine (PubChem CID 115350631) has the molecular formula C14H18F4N2O and a molecular weight of 306.30 g/mol. Its IUPAC name is 2-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(2-methoxyethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name2-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(2-methoxyethyl)pyrrolidin-3-amine
PubChem CID115350631
Molecular FormulaC14H18F4N2O
Molecular Weight306.30 g/mol
Exact Mass306.14
IUPAC Name2-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(2-methoxyethyl)pyrrolidin-3-amine
SMILESCOCCN1CCC(N)C1c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C14H18F4N2O/c1-21-5-4-20-3-2-12(19)13(20)9-6-10(14(16,17)18)8-11(15)7-9/h6-8,12-13H,2-5,19H2,1H3
InChIKeyZUCJDMNBPMEOJQ-UHFFFAOYSA-N
XLogP2.57
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(2-methoxyethyl)pyrrolidin-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 2-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(2-methoxyethyl)pyrrolidin-3-amine?
The IUPAC name of 2-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(2-methoxyethyl)pyrrolidin-3-amine (CID 115350631) is 2-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(2-methoxyethyl)pyrrolidin-3-amine.
What is the SMILES notation for 2-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(2-methoxyethyl)pyrrolidin-3-amine?
The canonical SMILES for 2-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(2-methoxyethyl)pyrrolidin-3-amine is COCCN1CCC(N)C1c1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(2-methoxyethyl)pyrrolidin-3-amine?
The InChIKey is ZUCJDMNBPMEOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F4N2O/c1-21-5-4-20-3-2-12(19)13(20)9-6-10(14(16,17)18)8-11(15)7-9/h6-8,12-13H,2-5,19H2,1H3.
What are the key properties of 2-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(2-methoxyethyl)pyrrolidin-3-amine?
2-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(2-methoxyethyl)pyrrolidin-3-amine has a molecular weight of 306.30 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(2-methoxyethyl)pyrrolidin-3-amine is sourced from PubChem (CID 115350631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).