[1-[3-cyclohexyl-2-[[4-(trifluoromethyl)phenyl]methylamino]propyl]pyrrolidin-2-yl]methanol

C22H33F3N2O — CID 67961822

IUPAC[1-[3-cyclohexyl-2-[[4-(trifluoromethyl)phenyl]methylamino]propyl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1CC(CC1CCCCC1)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H33F3N2O/c23-22(24,25)19-10-8-18(9-11-19)14-26-20(13-17-5-2-1-3-6-17)15-27-12-4-7-21(27)16-28/h8-11,17,20-21,26,28H,1-7,12-16H2
InChIKeySFIFJPJGKHNXDQ-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.59
Rot. Bonds8

About [1-[3-cyclohexyl-2-[[4-(trifluoromethyl)phenyl]methylamino]propyl]pyrrolidin-2-yl]methanol

[1-[3-cyclohexyl-2-[[4-(trifluoromethyl)phenyl]methylamino]propyl]pyrrolidin-2-yl]methanol (PubChem CID 67961822) has the molecular formula C22H33F3N2O and a molecular weight of 398.51 g/mol. Its IUPAC name is [1-[3-cyclohexyl-2-[[4-(trifluoromethyl)phenyl]methylamino]propyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[3-cyclohexyl-2-[[4-(trifluoromethyl)phenyl]methylamino]propyl]pyrrolidin-2-yl]methanol
PubChem CID67961822
Molecular FormulaC22H33F3N2O
Molecular Weight398.51 g/mol
Exact Mass398.25
IUPAC Name[1-[3-cyclohexyl-2-[[4-(trifluoromethyl)phenyl]methylamino]propyl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1CC(CC1CCCCC1)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H33F3N2O/c23-22(24,25)19-10-8-18(9-11-19)14-26-20(13-17-5-2-1-3-6-17)15-27-12-4-7-21(27)16-28/h8-11,17,20-21,26,28H,1-7,12-16H2
InChIKeySFIFJPJGKHNXDQ-UHFFFAOYSA-N
XLogP4.59
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [1-[3-cyclohexyl-2-[[4-(trifluoromethyl)phenyl]methylamino]propyl]pyrrolidin-2-yl]methanol 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 [1-[3-cyclohexyl-2-[[4-(trifluoromethyl)phenyl]methylamino]propyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[3-cyclohexyl-2-[[4-(trifluoromethyl)phenyl]methylamino]propyl]pyrrolidin-2-yl]methanol (CID 67961822) is [1-[3-cyclohexyl-2-[[4-(trifluoromethyl)phenyl]methylamino]propyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[3-cyclohexyl-2-[[4-(trifluoromethyl)phenyl]methylamino]propyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[3-cyclohexyl-2-[[4-(trifluoromethyl)phenyl]methylamino]propyl]pyrrolidin-2-yl]methanol is OCC1CCCN1CC(CC1CCCCC1)NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of [1-[3-cyclohexyl-2-[[4-(trifluoromethyl)phenyl]methylamino]propyl]pyrrolidin-2-yl]methanol?
The InChIKey is SFIFJPJGKHNXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33F3N2O/c23-22(24,25)19-10-8-18(9-11-19)14-26-20(13-17-5-2-1-3-6-17)15-27-12-4-7-21(27)16-28/h8-11,17,20-21,26,28H,1-7,12-16H2.
What are the key properties of [1-[3-cyclohexyl-2-[[4-(trifluoromethyl)phenyl]methylamino]propyl]pyrrolidin-2-yl]methanol?
[1-[3-cyclohexyl-2-[[4-(trifluoromethyl)phenyl]methylamino]propyl]pyrrolidin-2-yl]methanol has a molecular weight of 398.51 g/mol, XLogP of 4.59, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-cyclohexyl-2-[[4-(trifluoromethyl)phenyl]methylamino]propyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 67961822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).