N,N-dimethyl-4-[[3-(morpholin-4-ylmethyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methyl]aniline

C25H32F3N3O — CID 42867060

IUPACN,N-dimethyl-4-[[3-(morpholin-4-ylmethyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methyl]aniline
SMILESCN(C)c1ccc(CN2CC(CN3CCOCC3)C(c3cccc(C(F)(F)F)c3)C2)cc1
InChIInChI=1S/C25H32F3N3O/c1-29(2)23-8-6-19(7-9-23)15-31-17-21(16-30-10-12-32-13-11-30)24(18-31)20-4-3-5-22(14-20)25(26,27)28/h3-9,14,21,24H,10-13,15-18H2,1-2H3
InChIKeyMTDIVNUTMGYURC-UHFFFAOYSA-N
MW447.55 g/mol
LogP4.32
Rot. Bonds6

About N,N-dimethyl-4-[[3-(morpholin-4-ylmethyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methyl]aniline

N,N-dimethyl-4-[[3-(morpholin-4-ylmethyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methyl]aniline (PubChem CID 42867060) has the molecular formula C25H32F3N3O and a molecular weight of 447.55 g/mol. Its IUPAC name is N,N-dimethyl-4-[[3-(morpholin-4-ylmethyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[[3-(morpholin-4-ylmethyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methyl]aniline
PubChem CID42867060
Molecular FormulaC25H32F3N3O
Molecular Weight447.55 g/mol
Exact Mass447.25
IUPAC NameN,N-dimethyl-4-[[3-(morpholin-4-ylmethyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methyl]aniline
SMILESCN(C)c1ccc(CN2CC(CN3CCOCC3)C(c3cccc(C(F)(F)F)c3)C2)cc1
InChIInChI=1S/C25H32F3N3O/c1-29(2)23-8-6-19(7-9-23)15-31-17-21(16-30-10-12-32-13-11-30)24(18-31)20-4-3-5-22(14-20)25(26,27)28/h3-9,14,21,24H,10-13,15-18H2,1-2H3
InChIKeyMTDIVNUTMGYURC-UHFFFAOYSA-N
XLogP4.32
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.55
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze N,N-dimethyl-4-[[3-(morpholin-4-ylmethyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methyl]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,N-dimethyl-4-[[3-(morpholin-4-ylmethyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methyl]aniline?
The IUPAC name of N,N-dimethyl-4-[[3-(morpholin-4-ylmethyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methyl]aniline (CID 42867060) is N,N-dimethyl-4-[[3-(morpholin-4-ylmethyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[[3-(morpholin-4-ylmethyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[[3-(morpholin-4-ylmethyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methyl]aniline is CN(C)c1ccc(CN2CC(CN3CCOCC3)C(c3cccc(C(F)(F)F)c3)C2)cc1.
What is the InChIKey of N,N-dimethyl-4-[[3-(morpholin-4-ylmethyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methyl]aniline?
The InChIKey is MTDIVNUTMGYURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F3N3O/c1-29(2)23-8-6-19(7-9-23)15-31-17-21(16-30-10-12-32-13-11-30)24(18-31)20-4-3-5-22(14-20)25(26,27)28/h3-9,14,21,24H,10-13,15-18H2,1-2H3.
What are the key properties of N,N-dimethyl-4-[[3-(morpholin-4-ylmethyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methyl]aniline?
N,N-dimethyl-4-[[3-(morpholin-4-ylmethyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methyl]aniline has a molecular weight of 447.55 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[3-(morpholin-4-ylmethyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methyl]aniline is sourced from PubChem (CID 42867060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).