3-(3-fluorophenyl)-N-methyl-3-[3-[3-(trifluoromethyl)phenyl]indol-1-yl]propan-1-amine

C25H22F4N2 — CID 141126993

IUPAC3-(3-fluorophenyl)-N-methyl-3-[3-[3-(trifluoromethyl)phenyl]indol-1-yl]propan-1-amine
SMILESCNCCC(c1cccc(F)c1)n1cc(-c2cccc(C(F)(F)F)c2)c2ccccc21
InChIInChI=1S/C25H22F4N2/c1-30-13-12-23(18-7-5-9-20(26)15-18)31-16-22(21-10-2-3-11-24(21)31)17-6-4-8-19(14-17)25(27,28)29/h2-11,14-16,23,30H,12-13H2,1H3
InChIKeyWSVSLZGDGIBPOU-UHFFFAOYSA-N
MW426.46 g/mol
LogP6.67
Rot. Bonds6

About 3-(3-fluorophenyl)-N-methyl-3-[3-[3-(trifluoromethyl)phenyl]indol-1-yl]propan-1-amine

3-(3-fluorophenyl)-N-methyl-3-[3-[3-(trifluoromethyl)phenyl]indol-1-yl]propan-1-amine (PubChem CID 141126993) has the molecular formula C25H22F4N2 and a molecular weight of 426.46 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-methyl-3-[3-[3-(trifluoromethyl)phenyl]indol-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-methyl-3-[3-[3-(trifluoromethyl)phenyl]indol-1-yl]propan-1-amine
PubChem CID141126993
Molecular FormulaC25H22F4N2
Molecular Weight426.46 g/mol
Exact Mass426.17
IUPAC Name3-(3-fluorophenyl)-N-methyl-3-[3-[3-(trifluoromethyl)phenyl]indol-1-yl]propan-1-amine
SMILESCNCCC(c1cccc(F)c1)n1cc(-c2cccc(C(F)(F)F)c2)c2ccccc21
InChIInChI=1S/C25H22F4N2/c1-30-13-12-23(18-7-5-9-20(26)15-18)31-16-22(21-10-2-3-11-24(21)31)17-6-4-8-19(14-17)25(27,28)29/h2-11,14-16,23,30H,12-13H2,1H3
InChIKeyWSVSLZGDGIBPOU-UHFFFAOYSA-N
XLogP6.67
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.46
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(3-fluorophenyl)propyl]-3-[3-(trifluoromethyl)phenyl]indole
CID 141126920
3-[3-(3,4-dichlorophenyl)indol-1-yl]-3-(3-fluorophenyl)-N-methylpropan-1-amine
CID 141127005
1-[1-(3-fluorophenyl)propyl]-3-propan-2-ylindole
CID 150635589
1-(3-tert-butylindol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol
CID 68906978
(1S,2R)-1-(3-fluorophenyl)-3-(methylamino)-1-(3-propan-2-ylindol-1-yl)propan-2-ol
CID 25253859
(1S,2R)-1-(3-fluorophenyl)-3-(methylamino)-1-[3-(2-propan-2-yloxyphenyl)indol-1-yl]propan-2-ol;methane;sulfane
CID 160611906
3-(1-ethylindol-3-yl)-3-(3-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 42801362
5-fluoro-N-[3-(methylamino)propyl]-2-[3-(trifluoromethyl)phenyl]benzamide
CID 119429718
3-(4-fluorophenyl)-3-indol-1-yl-N-methylpropan-1-amine
CID 58088567
N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 18544546
1-fluoro-2-[3-(trifluoromethyl)phenyl]benzene
CID 46311910
N-methyl-3-[1-methyl-4-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]propan-1-amine
CID 105424029

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-methyl-3-[3-[3-(trifluoromethyl)phenyl]indol-1-yl]propan-1-amine?
The IUPAC name of 3-(3-fluorophenyl)-N-methyl-3-[3-[3-(trifluoromethyl)phenyl]indol-1-yl]propan-1-amine (CID 141126993) is 3-(3-fluorophenyl)-N-methyl-3-[3-[3-(trifluoromethyl)phenyl]indol-1-yl]propan-1-amine.
What is the SMILES notation for 3-(3-fluorophenyl)-N-methyl-3-[3-[3-(trifluoromethyl)phenyl]indol-1-yl]propan-1-amine?
The canonical SMILES for 3-(3-fluorophenyl)-N-methyl-3-[3-[3-(trifluoromethyl)phenyl]indol-1-yl]propan-1-amine is CNCCC(c1cccc(F)c1)n1cc(-c2cccc(C(F)(F)F)c2)c2ccccc21.
What is the InChIKey of 3-(3-fluorophenyl)-N-methyl-3-[3-[3-(trifluoromethyl)phenyl]indol-1-yl]propan-1-amine?
The InChIKey is WSVSLZGDGIBPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F4N2/c1-30-13-12-23(18-7-5-9-20(26)15-18)31-16-22(21-10-2-3-11-24(21)31)17-6-4-8-19(14-17)25(27,28)29/h2-11,14-16,23,30H,12-13H2,1H3.
What are the key properties of 3-(3-fluorophenyl)-N-methyl-3-[3-[3-(trifluoromethyl)phenyl]indol-1-yl]propan-1-amine?
3-(3-fluorophenyl)-N-methyl-3-[3-[3-(trifluoromethyl)phenyl]indol-1-yl]propan-1-amine has a molecular weight of 426.46 g/mol, XLogP of 6.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-methyl-3-[3-[3-(trifluoromethyl)phenyl]indol-1-yl]propan-1-amine is sourced from PubChem (CID 141126993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).