N-[2-(6-chloro-1H-indol-3-yl)ethyl]-N-[[3-(2,2,3,3,3-pentafluoropropoxy)phenyl]methyl]propan-2-amine

C23H24ClF5N2O — CID 21071652

IUPACN-[2-(6-chloro-1H-indol-3-yl)ethyl]-N-[[3-(2,2,3,3,3-pentafluoropropoxy)phenyl]methyl]propan-2-amine
SMILESCC(C)N(CCc1c[nH]c2cc(Cl)ccc12)Cc1cccc(OCC(F)(F)C(F)(F)F)c1
InChIInChI=1S/C23H24ClF5N2O/c1-15(2)31(9-8-17-12-30-21-11-18(24)6-7-20(17)21)13-16-4-3-5-19(10-16)32-14-22(25,26)23(27,28)29/h3-7,10-12,15,30H,8-9,13-14H2,1-2H3
InChIKeySQFUMZKYHPPYCH-UHFFFAOYSA-N
MW474.90 g/mol
LogP6.85
Rot. Bonds9

About N-[2-(6-chloro-1H-indol-3-yl)ethyl]-N-[[3-(2,2,3,3,3-pentafluoropropoxy)phenyl]methyl]propan-2-amine

N-[2-(6-chloro-1H-indol-3-yl)ethyl]-N-[[3-(2,2,3,3,3-pentafluoropropoxy)phenyl]methyl]propan-2-amine (PubChem CID 21071652) has the molecular formula C23H24ClF5N2O and a molecular weight of 474.90 g/mol. Its IUPAC name is N-[2-(6-chloro-1H-indol-3-yl)ethyl]-N-[[3-(2,2,3,3,3-pentafluoropropoxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(6-chloro-1H-indol-3-yl)ethyl]-N-[[3-(2,2,3,3,3-pentafluoropropoxy)phenyl]methyl]propan-2-amine
PubChem CID21071652
Molecular FormulaC23H24ClF5N2O
Molecular Weight474.90 g/mol
Exact Mass474.15
IUPAC NameN-[2-(6-chloro-1H-indol-3-yl)ethyl]-N-[[3-(2,2,3,3,3-pentafluoropropoxy)phenyl]methyl]propan-2-amine
SMILESCC(C)N(CCc1c[nH]c2cc(Cl)ccc12)Cc1cccc(OCC(F)(F)C(F)(F)F)c1
InChIInChI=1S/C23H24ClF5N2O/c1-15(2)31(9-8-17-12-30-21-11-18(24)6-7-20(17)21)13-16-4-3-5-19(10-16)32-14-22(25,26)23(27,28)29/h3-7,10-12,15,30H,8-9,13-14H2,1-2H3
InChIKeySQFUMZKYHPPYCH-UHFFFAOYSA-N
XLogP6.85
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.90
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

Idalopirdine
CID 21071390
5-Methoxy-N,N-Diisopropyltryptamine
CID 151182
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-(1H-indol-4-yloxy)propyl]amine
CID 25190757
[2-(3-Chloro-1H-indol-4-yloxy)-ethyl]-(4-phenyl-butyl)-amine
CID 9884480
2-(5-Octyloxy-1H-indol-3-yl)-ethylamine
CID 10613373
2-(5-Heptyloxy-1H-indol-3-yl)-ethylamine
CID 10802304
5-cyclohexyloxy-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole
CID 70301391

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-chloro-1H-indol-3-yl)ethyl]-N-[[3-(2,2,3,3,3-pentafluoropropoxy)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[2-(6-chloro-1H-indol-3-yl)ethyl]-N-[[3-(2,2,3,3,3-pentafluoropropoxy)phenyl]methyl]propan-2-amine (CID 21071652) is N-[2-(6-chloro-1H-indol-3-yl)ethyl]-N-[[3-(2,2,3,3,3-pentafluoropropoxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[2-(6-chloro-1H-indol-3-yl)ethyl]-N-[[3-(2,2,3,3,3-pentafluoropropoxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[2-(6-chloro-1H-indol-3-yl)ethyl]-N-[[3-(2,2,3,3,3-pentafluoropropoxy)phenyl]methyl]propan-2-amine is CC(C)N(CCc1c[nH]c2cc(Cl)ccc12)Cc1cccc(OCC(F)(F)C(F)(F)F)c1.
What is the InChIKey of N-[2-(6-chloro-1H-indol-3-yl)ethyl]-N-[[3-(2,2,3,3,3-pentafluoropropoxy)phenyl]methyl]propan-2-amine?
The InChIKey is SQFUMZKYHPPYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClF5N2O/c1-15(2)31(9-8-17-12-30-21-11-18(24)6-7-20(17)21)13-16-4-3-5-19(10-16)32-14-22(25,26)23(27,28)29/h3-7,10-12,15,30H,8-9,13-14H2,1-2H3.
What are the key properties of N-[2-(6-chloro-1H-indol-3-yl)ethyl]-N-[[3-(2,2,3,3,3-pentafluoropropoxy)phenyl]methyl]propan-2-amine?
N-[2-(6-chloro-1H-indol-3-yl)ethyl]-N-[[3-(2,2,3,3,3-pentafluoropropoxy)phenyl]methyl]propan-2-amine has a molecular weight of 474.90 g/mol, XLogP of 6.85, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-chloro-1H-indol-3-yl)ethyl]-N-[[3-(2,2,3,3,3-pentafluoropropoxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 21071652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).