3-[5-[[4-[2-(2-chlorophenyl)propan-2-yl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;hydrochloride

C32H37Cl2F3N4O — CID 129185850

IUPAC3-[5-[[4-[2-(2-chlorophenyl)propan-2-yl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;hydrochloride
SMILESCC(C)(c1ccccc1Cl)N1CCN(Cc2ccc3c(c2)c(-c2ccc(OC(F)(F)F)cc2)cn3CCCN)CC1.Cl
InChIInChI=1S/C32H36ClF3N4O.ClH/c1-31(2,28-6-3-4-7-29(28)33)40-18-16-38(17-19-40)21-23-8-13-30-26(20-23)27(22-39(30)15-5-14-37)24-9-11-25(12-10-24)41-32(34,35)36;/h3-4,6-13,20,22H,5,14-19,21,37H2,1-2H3;1H
InChIKeyJGMJSYABLVOTDB-UHFFFAOYSA-N
MW621.58 g/mol
LogP7.68
Rot. Bonds9

About 3-[5-[[4-[2-(2-chlorophenyl)propan-2-yl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;hydrochloride

3-[5-[[4-[2-(2-chlorophenyl)propan-2-yl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;hydrochloride (PubChem CID 129185850) has the molecular formula C32H37Cl2F3N4O and a molecular weight of 621.58 g/mol. Its IUPAC name is 3-[5-[[4-[2-(2-chlorophenyl)propan-2-yl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-[5-[[4-[2-(2-chlorophenyl)propan-2-yl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;hydrochloride
PubChem CID129185850
Molecular FormulaC32H37Cl2F3N4O
Molecular Weight621.58 g/mol
Exact Mass620.23
IUPAC Name3-[5-[[4-[2-(2-chlorophenyl)propan-2-yl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;hydrochloride
SMILESCC(C)(c1ccccc1Cl)N1CCN(Cc2ccc3c(c2)c(-c2ccc(OC(F)(F)F)cc2)cn3CCCN)CC1.Cl
InChIInChI=1S/C32H36ClF3N4O.ClH/c1-31(2,28-6-3-4-7-29(28)33)40-18-16-38(17-19-40)21-23-8-13-30-26(20-23)27(22-39(30)15-5-14-37)24-9-11-25(12-10-24)41-32(34,35)36;/h3-4,6-13,20,22H,5,14-19,21,37H2,1-2H3;1H
InChIKeyJGMJSYABLVOTDB-UHFFFAOYSA-N
XLogP7.68
TPSA46.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.58
LogP ≤ 57.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[5-[[4-[2-(2-chlorophenyl)propan-2-yl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;hydrochloride 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 3-[5-[[4-[2-(2-chlorophenyl)propan-2-yl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;hydrochloride?
The IUPAC name of 3-[5-[[4-[2-(2-chlorophenyl)propan-2-yl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;hydrochloride (CID 129185850) is 3-[5-[[4-[2-(2-chlorophenyl)propan-2-yl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;hydrochloride.
What is the SMILES notation for 3-[5-[[4-[2-(2-chlorophenyl)propan-2-yl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;hydrochloride?
The canonical SMILES for 3-[5-[[4-[2-(2-chlorophenyl)propan-2-yl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;hydrochloride is CC(C)(c1ccccc1Cl)N1CCN(Cc2ccc3c(c2)c(-c2ccc(OC(F)(F)F)cc2)cn3CCCN)CC1.Cl.
What is the InChIKey of 3-[5-[[4-[2-(2-chlorophenyl)propan-2-yl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;hydrochloride?
The InChIKey is JGMJSYABLVOTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36ClF3N4O.ClH/c1-31(2,28-6-3-4-7-29(28)33)40-18-16-38(17-19-40)21-23-8-13-30-26(20-23)27(22-39(30)15-5-14-37)24-9-11-25(12-10-24)41-32(34,35)36;/h3-4,6-13,20,22H,5,14-19,21,37H2,1-2H3;1H.
What are the key properties of 3-[5-[[4-[2-(2-chlorophenyl)propan-2-yl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;hydrochloride?
3-[5-[[4-[2-(2-chlorophenyl)propan-2-yl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;hydrochloride has a molecular weight of 621.58 g/mol, XLogP of 7.68, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[4-[2-(2-chlorophenyl)propan-2-yl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;hydrochloride is sourced from PubChem (CID 129185850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).