1-(5-chloro-1H-indol-3-yl)-2-methyl-N-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]propan-2-amine

C22H24ClF3N2O2 — CID 15289626

IUPAC1-(5-chloro-1H-indol-3-yl)-2-methyl-N-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]propan-2-amine
SMILESCC(C)(Cc1c[nH]c2ccc(Cl)cc12)NCCOc1ccccc1OCC(F)(F)F
InChIInChI=1S/C22H24ClF3N2O2/c1-21(2,12-15-13-27-18-8-7-16(23)11-17(15)18)28-9-10-29-19-5-3-4-6-20(19)30-14-22(24,25)26/h3-8,11,13,27-28H,9-10,12,14H2,1-2H3
InChIKeyPFXIWIRAJRGCCO-UHFFFAOYSA-N
MW440.89 g/mol
LogP5.75
Rot. Bonds9

About 1-(5-chloro-1H-indol-3-yl)-2-methyl-N-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]propan-2-amine

1-(5-chloro-1H-indol-3-yl)-2-methyl-N-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]propan-2-amine (PubChem CID 15289626) has the molecular formula C22H24ClF3N2O2 and a molecular weight of 440.89 g/mol. Its IUPAC name is 1-(5-chloro-1H-indol-3-yl)-2-methyl-N-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]propan-2-amine.

Molecular Properties

Compound Name1-(5-chloro-1H-indol-3-yl)-2-methyl-N-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]propan-2-amine
PubChem CID15289626
Molecular FormulaC22H24ClF3N2O2
Molecular Weight440.89 g/mol
Exact Mass440.15
IUPAC Name1-(5-chloro-1H-indol-3-yl)-2-methyl-N-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]propan-2-amine
SMILESCC(C)(Cc1c[nH]c2ccc(Cl)cc12)NCCOc1ccccc1OCC(F)(F)F
InChIInChI=1S/C22H24ClF3N2O2/c1-21(2,12-15-13-27-18-8-7-16(23)11-17(15)18)28-9-10-29-19-5-3-4-6-20(19)30-14-22(24,25)26/h3-8,11,13,27-28H,9-10,12,14H2,1-2H3
InChIKeyPFXIWIRAJRGCCO-UHFFFAOYSA-N
XLogP5.75
TPSA46.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.89
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(5-chloro-1H-indol-3-yl)-2-methyl-N-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]propan-2-amine with MolForge

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Related Compounds

[2-(2-Cyclopropylmethoxy-phenoxy)-ethyl]-[2-(1H-indol-3-yl)-1,1-dimethyl-ethyl]-amine
CID 3894573
[2-(3-Chloro-1H-indol-4-yloxy)-ethyl]-(4-phenyl-butyl)-amine
CID 9884480
[2-(2,3-Dihydro-benzo[1,4]dioxin-5-yloxy)-ethyl]-[3-(5-fluoro-1H-indol-3-yl)-propyl]-amine
CID 9885700
3-{1-[2-(2,3-Dihydro-benzo[1,4]dioxin-5-yloxy)-ethyl]-1,2,3,6-tetrahydro-pyridin-4-yl}-6-fluoro-1H-indole
CID 10271949
[2-(6-Fluoro-chroman-8-yloxy)-ethyl]-[3-(5-fluoro-1H-indol-3-yl)-propyl]-amine
CID 10362715
[3-(5-Fluoro-1H-indol-3-yl)-propyl]-[2-(2-Methoxy-phenoxy)ethyl]-amine
CID 11221557
[3-(5-Fluoro-1H-indol-3-yl)propyl]-[2-(5-fluoro-2-methoxy-phenoxy)-ethyl]-amine
CID 11382841
5-Chloro-3-{3-[4-(2,3-dihydro-benzo[1,4]dioxin-5-yl)-piperazin-1-yl]-propyl}-1H-indole
CID 11668731
Idalopirdine Hydrochloride
CID 21071391
[2-(7-Fluoro-2,3-dihydro-benzo[1,4]dioxin-5-yloxy)-ethyl]-[3-(5-fluoro-1H-indol-3-yl)-propyl]-amine
CID 11303781
[2-(5-Fluoro-2,3-dihydro-benzofuran-7-yloxy)-ethyl]-[2-(5-fluoro-1H-indol-3-yl)-ethyl]-amine
CID 9798864
[4-(5-Fluoro-1H-indol-3-yl)-cyclohexyl]-[2-(2-methoxy-phenoxy)-ethyl]-amine
CID 9800133

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1H-indol-3-yl)-2-methyl-N-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]propan-2-amine?
The IUPAC name of 1-(5-chloro-1H-indol-3-yl)-2-methyl-N-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]propan-2-amine (CID 15289626) is 1-(5-chloro-1H-indol-3-yl)-2-methyl-N-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]propan-2-amine.
What is the SMILES notation for 1-(5-chloro-1H-indol-3-yl)-2-methyl-N-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]propan-2-amine?
The canonical SMILES for 1-(5-chloro-1H-indol-3-yl)-2-methyl-N-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]propan-2-amine is CC(C)(Cc1c[nH]c2ccc(Cl)cc12)NCCOc1ccccc1OCC(F)(F)F.
What is the InChIKey of 1-(5-chloro-1H-indol-3-yl)-2-methyl-N-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]propan-2-amine?
The InChIKey is PFXIWIRAJRGCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClF3N2O2/c1-21(2,12-15-13-27-18-8-7-16(23)11-17(15)18)28-9-10-29-19-5-3-4-6-20(19)30-14-22(24,25)26/h3-8,11,13,27-28H,9-10,12,14H2,1-2H3.
What are the key properties of 1-(5-chloro-1H-indol-3-yl)-2-methyl-N-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]propan-2-amine?
1-(5-chloro-1H-indol-3-yl)-2-methyl-N-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]propan-2-amine has a molecular weight of 440.89 g/mol, XLogP of 5.75, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1H-indol-3-yl)-2-methyl-N-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]propan-2-amine is sourced from PubChem (CID 15289626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).