N-(2-pyrrolidin-1-ylethyl)-3-(2,2,2-trifluoroethoxymethyl)aniline

C15H21F3N2O — CID 69244489

IUPACN-(2-pyrrolidin-1-ylethyl)-3-(2,2,2-trifluoroethoxymethyl)aniline
SMILESFC(F)(F)COCc1cccc(NCCN2CCCC2)c1
InChIInChI=1S/C15H21F3N2O/c16-15(17,18)12-21-11-13-4-3-5-14(10-13)19-6-9-20-7-1-2-8-20/h3-5,10,19H,1-2,6-9,11-12H2
InChIKeyALJCBLQJKWWXSY-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.27
Rot. Bonds7

About N-(2-pyrrolidin-1-ylethyl)-3-(2,2,2-trifluoroethoxymethyl)aniline

N-(2-pyrrolidin-1-ylethyl)-3-(2,2,2-trifluoroethoxymethyl)aniline (PubChem CID 69244489) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-ylethyl)-3-(2,2,2-trifluoroethoxymethyl)aniline.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-ylethyl)-3-(2,2,2-trifluoroethoxymethyl)aniline
PubChem CID69244489
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC NameN-(2-pyrrolidin-1-ylethyl)-3-(2,2,2-trifluoroethoxymethyl)aniline
SMILESFC(F)(F)COCc1cccc(NCCN2CCCC2)c1
InChIInChI=1S/C15H21F3N2O/c16-15(17,18)12-21-11-13-4-3-5-14(10-13)19-6-9-20-7-1-2-8-20/h3-5,10,19H,1-2,6-9,11-12H2
InChIKeyALJCBLQJKWWXSY-UHFFFAOYSA-N
XLogP3.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-pyrrolidin-1-ylethyl)-3-(2,2,2-trifluoroethoxymethyl)aniline 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 N-(2-pyrrolidin-1-ylethyl)-3-(2,2,2-trifluoroethoxymethyl)aniline?
The IUPAC name of N-(2-pyrrolidin-1-ylethyl)-3-(2,2,2-trifluoroethoxymethyl)aniline (CID 69244489) is N-(2-pyrrolidin-1-ylethyl)-3-(2,2,2-trifluoroethoxymethyl)aniline.
What is the SMILES notation for N-(2-pyrrolidin-1-ylethyl)-3-(2,2,2-trifluoroethoxymethyl)aniline?
The canonical SMILES for N-(2-pyrrolidin-1-ylethyl)-3-(2,2,2-trifluoroethoxymethyl)aniline is FC(F)(F)COCc1cccc(NCCN2CCCC2)c1.
What is the InChIKey of N-(2-pyrrolidin-1-ylethyl)-3-(2,2,2-trifluoroethoxymethyl)aniline?
The InChIKey is ALJCBLQJKWWXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c16-15(17,18)12-21-11-13-4-3-5-14(10-13)19-6-9-20-7-1-2-8-20/h3-5,10,19H,1-2,6-9,11-12H2.
What are the key properties of N-(2-pyrrolidin-1-ylethyl)-3-(2,2,2-trifluoroethoxymethyl)aniline?
N-(2-pyrrolidin-1-ylethyl)-3-(2,2,2-trifluoroethoxymethyl)aniline has a molecular weight of 302.34 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-1-ylethyl)-3-(2,2,2-trifluoroethoxymethyl)aniline is sourced from PubChem (CID 69244489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).