N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(2,2-diphenylethyl)-3-(1H-indol-4-yloxy)-2-methylpropan-1-amine

C34H32ClF3N2O — CID 11203968

IUPACN-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(2,2-diphenylethyl)-3-(1H-indol-4-yloxy)-2-methylpropan-1-amine
SMILESCC(COc1cccc2[nH]ccc12)CN(Cc1cccc(C(F)(F)F)c1Cl)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H32ClF3N2O/c1-24(23-41-32-17-9-16-31-28(32)18-19-39-31)20-40(21-27-14-8-15-30(33(27)35)34(36,37)38)22-29(25-10-4-2-5-11-25)26-12-6-3-7-13-26/h2-19,24,29,39H,20-23H2,1H3
InChIKeyNPPSUHKZZZEEGY-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-4-yloxy)-2-methylpropan-1-amine

N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(2,2-diphenylethyl)-3-(1H-indol-4-yloxy)-2-methylpropan-1-amine (PubChem CID 11203968) 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-4-yloxy)-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(2,2-diphenylethyl)-3-(1H-indol-4-yloxy)-2-methylpropan-1-amine
PubChem CID11203968
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-4-yloxy)-2-methylpropan-1-amine
SMILESCC(COc1cccc2[nH]ccc12)CN(Cc1cccc(C(F)(F)F)c1Cl)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H32ClF3N2O/c1-24(23-41-32-17-9-16-31-28(32)18-19-39-31)20-40(21-27-14-8-15-30(33(27)35)34(36,37)38)22-29(25-10-4-2-5-11-25)26-12-6-3-7-13-26/h2-19,24,29,39H,20-23H2,1H3
InChIKeyNPPSUHKZZZEEGY-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

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Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(2,2-diphenylethyl)-3-(1H-indol-4-yloxy)-2-methylpropan-1-amine?
The IUPAC name of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(2,2-diphenylethyl)-3-(1H-indol-4-yloxy)-2-methylpropan-1-amine (CID 11203968) is N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(2,2-diphenylethyl)-3-(1H-indol-4-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-4-yloxy)-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(2,2-diphenylethyl)-3-(1H-indol-4-yloxy)-2-methylpropan-1-amine is CC(COc1cccc2[nH]ccc12)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-4-yloxy)-2-methylpropan-1-amine?
The InChIKey is NPPSUHKZZZEEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32ClF3N2O/c1-24(23-41-32-17-9-16-31-28(32)18-19-39-31)20-40(21-27-14-8-15-30(33(27)35)34(36,37)38)22-29(25-10-4-2-5-11-25)26-12-6-3-7-13-26/h2-19,24,29,39H,20-23H2,1H3.
What are the key properties of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(2,2-diphenylethyl)-3-(1H-indol-4-yloxy)-2-methylpropan-1-amine?
N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(2,2-diphenylethyl)-3-(1H-indol-4-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-4-yloxy)-2-methylpropan-1-amine is sourced from PubChem (CID 11203968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).