N-[1-[4-(3,4-dichlorophenyl)pyrrolidin-3-yl]-2-phenylethyl]-4-(trifluoromethyl)aniline

C25H23Cl2F3N2 — CID 67532883

IUPACN-[1-[4-(3,4-dichlorophenyl)pyrrolidin-3-yl]-2-phenylethyl]-4-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(NC(Cc2ccccc2)C2CNCC2c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C25H23Cl2F3N2/c26-22-11-6-17(13-23(22)27)20-14-31-15-21(20)24(12-16-4-2-1-3-5-16)32-19-9-7-18(8-10-19)25(28,29)30/h1-11,13,20-21,24,31-32H,12,14-15H2
InChIKeyFPNWMTUPQGXDMT-UHFFFAOYSA-N
MW479.37 g/mol
LogP7.04
Rot. Bonds6

About N-[1-[4-(3,4-dichlorophenyl)pyrrolidin-3-yl]-2-phenylethyl]-4-(trifluoromethyl)aniline

N-[1-[4-(3,4-dichlorophenyl)pyrrolidin-3-yl]-2-phenylethyl]-4-(trifluoromethyl)aniline (PubChem CID 67532883) has the molecular formula C25H23Cl2F3N2 and a molecular weight of 479.37 g/mol. Its IUPAC name is N-[1-[4-(3,4-dichlorophenyl)pyrrolidin-3-yl]-2-phenylethyl]-4-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[1-[4-(3,4-dichlorophenyl)pyrrolidin-3-yl]-2-phenylethyl]-4-(trifluoromethyl)aniline
PubChem CID67532883
Molecular FormulaC25H23Cl2F3N2
Molecular Weight479.37 g/mol
Exact Mass478.12
IUPAC NameN-[1-[4-(3,4-dichlorophenyl)pyrrolidin-3-yl]-2-phenylethyl]-4-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(NC(Cc2ccccc2)C2CNCC2c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C25H23Cl2F3N2/c26-22-11-6-17(13-23(22)27)20-14-31-15-21(20)24(12-16-4-2-1-3-5-16)32-19-9-7-18(8-10-19)25(28,29)30/h1-11,13,20-21,24,31-32H,12,14-15H2
InChIKeyFPNWMTUPQGXDMT-UHFFFAOYSA-N
XLogP7.04
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.37
LogP ≤ 57.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[1-[4-(3,4-dichlorophenyl)pyrrolidin-3-yl]-2-phenylethyl]-4-(trifluoromethyl)aniline 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

1-[4-(3,4-dichlorophenyl)pyrrolidin-3-yl]-N-methyl-2-phenylethanamine
CID 67531267
N-[1-[(3R,4S)-4-(3,4-dichlorophenyl)pyrrolidin-3-yl]-2-phenylethyl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine
CID 67531900
1-benzyl-3-(3,4-dichlorophenyl)-4-[1-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine
CID 67131473
N-[1-[(3R,4S)-4-(4-chlorophenyl)pyrrolidin-3-yl]-2-phenylethyl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine
CID 67532164
(3S,4R)-N-benzyl-4-(4-chloro-3-fluorophenyl)pyrrolidin-3-amine
CID 67248054
(3R,4R)-3-phenyl-4-[4-(trifluoromethyl)phenyl]piperidine
CID 14181100
(3S,4S)-3-phenyl-4-[4-(trifluoromethyl)phenyl]piperidine
CID 56605871
N-[3-(3,4-dichlorophenyl)piperidin-4-yl]-N'-phenylethane-1,2-diamine
CID 77251834
[4-(3,4-dichlorophenyl)pyrrolidin-3-yl]methyl-[5-(trifluoromethyl)pyrimidin-2-yl]carbamic acid
CID 67532607
1-[4-(3-chlorophenyl)pyrrolidin-3-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 67218389
1-[(3R)-3-(3,4-dichlorophenyl)azepan-4-yl]ethane-1,2-diol
CID 71128334
(1S)-1-[(3R,4R)-3-(3,4-dichlorophenyl)azepan-4-yl]ethane-1,2-diol
CID 71474070

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(3,4-dichlorophenyl)pyrrolidin-3-yl]-2-phenylethyl]-4-(trifluoromethyl)aniline?
The IUPAC name of N-[1-[4-(3,4-dichlorophenyl)pyrrolidin-3-yl]-2-phenylethyl]-4-(trifluoromethyl)aniline (CID 67532883) is N-[1-[4-(3,4-dichlorophenyl)pyrrolidin-3-yl]-2-phenylethyl]-4-(trifluoromethyl)aniline.
What is the SMILES notation for N-[1-[4-(3,4-dichlorophenyl)pyrrolidin-3-yl]-2-phenylethyl]-4-(trifluoromethyl)aniline?
The canonical SMILES for N-[1-[4-(3,4-dichlorophenyl)pyrrolidin-3-yl]-2-phenylethyl]-4-(trifluoromethyl)aniline is FC(F)(F)c1ccc(NC(Cc2ccccc2)C2CNCC2c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of N-[1-[4-(3,4-dichlorophenyl)pyrrolidin-3-yl]-2-phenylethyl]-4-(trifluoromethyl)aniline?
The InChIKey is FPNWMTUPQGXDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Cl2F3N2/c26-22-11-6-17(13-23(22)27)20-14-31-15-21(20)24(12-16-4-2-1-3-5-16)32-19-9-7-18(8-10-19)25(28,29)30/h1-11,13,20-21,24,31-32H,12,14-15H2.
What are the key properties of N-[1-[4-(3,4-dichlorophenyl)pyrrolidin-3-yl]-2-phenylethyl]-4-(trifluoromethyl)aniline?
N-[1-[4-(3,4-dichlorophenyl)pyrrolidin-3-yl]-2-phenylethyl]-4-(trifluoromethyl)aniline has a molecular weight of 479.37 g/mol, XLogP of 7.04, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(3,4-dichlorophenyl)pyrrolidin-3-yl]-2-phenylethyl]-4-(trifluoromethyl)aniline is sourced from PubChem (CID 67532883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).