N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(2,2-diphenylethyl)-3-(1H-indol-5-yloxy)-2-methylpropan-1-amine

C34H32ClF3N2O — CID 11296132

IUPACN-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(2,2-diphenylethyl)-3-(1H-indol-5-yloxy)-2-methylpropan-1-amine
SMILESCC(COc1ccc2[nH]ccc2c1)CN(Cc1cccc(C(F)(F)F)c1Cl)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H32ClF3N2O/c1-24(23-41-29-15-16-32-27(19-29)17-18-39-32)20-40(21-28-13-8-14-31(33(28)35)34(36,37)38)22-30(25-9-4-2-5-10-25)26-11-6-3-7-12-26/h2-19,24,30,39H,20-23H2,1H3
InChIKeyYWEZMTYDMVPEBC-UHFFFAOYSA-N
MW577.09 g/mol
LogP9.19
Rot. Bonds11

About N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(2,2-diphenylethyl)-3-(1H-indol-5-yloxy)-2-methylpropan-1-amine

N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(2,2-diphenylethyl)-3-(1H-indol-5-yloxy)-2-methylpropan-1-amine (PubChem CID 11296132) has the molecular formula C34H32ClF3N2O and a molecular weight of 577.09 g/mol. Its IUPAC name is N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(2,2-diphenylethyl)-3-(1H-indol-5-yloxy)-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(2,2-diphenylethyl)-3-(1H-indol-5-yloxy)-2-methylpropan-1-amine
PubChem CID11296132
Molecular FormulaC34H32ClF3N2O
Molecular Weight577.09 g/mol
Exact Mass576.22
IUPAC NameN-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(2,2-diphenylethyl)-3-(1H-indol-5-yloxy)-2-methylpropan-1-amine
SMILESCC(COc1ccc2[nH]ccc2c1)CN(Cc1cccc(C(F)(F)F)c1Cl)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H32ClF3N2O/c1-24(23-41-29-15-16-32-27(19-29)17-18-39-32)20-40(21-28-13-8-14-31(33(28)35)34(36,37)38)22-30(25-9-4-2-5-10-25)26-11-6-3-7-12-26/h2-19,24,30,39H,20-23H2,1H3
InChIKeyYWEZMTYDMVPEBC-UHFFFAOYSA-N
XLogP9.19
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.09
LogP ≤ 59.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(2,2-diphenylethyl)-3-(1H-indol-5-yloxy)-2-methylpropan-1-amine 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

Idalopirdine
CID 21071390
5-(Benzyloxy)tryptamine
CID 89576
N,N-Dimethyl-5-(phenylmethoxy)-1H-indole-3-methanamine
CID 73814
5-(Nonyloxy)tryptamine
CID 1797
5-Methoxy-N,N-diisopropyltryptamine hydrochloride
CID 24802109
5-Propoxytryptamine
CID 10751317
{[2-chloro-3-(trifluoromethyl)phenyl]methyl}(2,2-diphenylethyl){3-[(1-methyl-1H-indol-4-yl)oxy]propyl}amine
CID 11273187
[4-(3-{[2-chloro-3-(trifluoromethyl)benzyl](2,2-diphenylethyl)amino}propoxy)-1H-indol-1-yl]acetic acid
CID 25147499
{[2-chloro-3-(trifluoromethyl)phenyl]methyl}(2,2-diphenylethyl)[3-(1H-indol-4-yloxy)propyl]amine
CID 25190757
2-(4-Fluoro-5-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine
CID 10082834
2-(5-Octyloxy-1H-indol-3-yl)-ethylamine
CID 10613373
2-(5-{3-[3-(2-Amino-ethyl)-1H-indol-5-yloxymethyl]-benzyloxy}-1H-indol-3-yl)-ethylamine
CID 10647387

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(2,2-diphenylethyl)-3-(1H-indol-5-yloxy)-2-methylpropan-1-amine?
The IUPAC name of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(2,2-diphenylethyl)-3-(1H-indol-5-yloxy)-2-methylpropan-1-amine (CID 11296132) is N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(2,2-diphenylethyl)-3-(1H-indol-5-yloxy)-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(2,2-diphenylethyl)-3-(1H-indol-5-yloxy)-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(2,2-diphenylethyl)-3-(1H-indol-5-yloxy)-2-methylpropan-1-amine is CC(COc1ccc2[nH]ccc2c1)CN(Cc1cccc(C(F)(F)F)c1Cl)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(2,2-diphenylethyl)-3-(1H-indol-5-yloxy)-2-methylpropan-1-amine?
The InChIKey is YWEZMTYDMVPEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32ClF3N2O/c1-24(23-41-29-15-16-32-27(19-29)17-18-39-32)20-40(21-28-13-8-14-31(33(28)35)34(36,37)38)22-30(25-9-4-2-5-10-25)26-11-6-3-7-12-26/h2-19,24,30,39H,20-23H2,1H3.
What are the key properties of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(2,2-diphenylethyl)-3-(1H-indol-5-yloxy)-2-methylpropan-1-amine?
N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(2,2-diphenylethyl)-3-(1H-indol-5-yloxy)-2-methylpropan-1-amine has a molecular weight of 577.09 g/mol, XLogP of 9.19, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(2,2-diphenylethyl)-3-(1H-indol-5-yloxy)-2-methylpropan-1-amine is sourced from PubChem (CID 11296132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).