3-[3-(3,4-dichlorophenyl)indol-1-yl]-3-(3-fluorophenyl)-N-methylpropan-1-amine

C24H21Cl2FN2 — CID 141127005

IUPAC3-[3-(3,4-dichlorophenyl)indol-1-yl]-3-(3-fluorophenyl)-N-methylpropan-1-amine
SMILESCNCCC(c1cccc(F)c1)n1cc(-c2ccc(Cl)c(Cl)c2)c2ccccc21
InChIInChI=1S/C24H21Cl2FN2/c1-28-12-11-23(17-5-4-6-18(27)13-17)29-15-20(19-7-2-3-8-24(19)29)16-9-10-21(25)22(26)14-16/h2-10,13-15,23,28H,11-12H2,1H3
InChIKeyLGHIBAASXJYWDC-UHFFFAOYSA-N
MW427.35 g/mol
LogP6.95
Rot. Bonds6

About 3-[3-(3,4-dichlorophenyl)indol-1-yl]-3-(3-fluorophenyl)-N-methylpropan-1-amine

3-[3-(3,4-dichlorophenyl)indol-1-yl]-3-(3-fluorophenyl)-N-methylpropan-1-amine (PubChem CID 141127005) has the molecular formula C24H21Cl2FN2 and a molecular weight of 427.35 g/mol. Its IUPAC name is 3-[3-(3,4-dichlorophenyl)indol-1-yl]-3-(3-fluorophenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-[3-(3,4-dichlorophenyl)indol-1-yl]-3-(3-fluorophenyl)-N-methylpropan-1-amine
PubChem CID141127005
Molecular FormulaC24H21Cl2FN2
Molecular Weight427.35 g/mol
Exact Mass426.11
IUPAC Name3-[3-(3,4-dichlorophenyl)indol-1-yl]-3-(3-fluorophenyl)-N-methylpropan-1-amine
SMILESCNCCC(c1cccc(F)c1)n1cc(-c2ccc(Cl)c(Cl)c2)c2ccccc21
InChIInChI=1S/C24H21Cl2FN2/c1-28-12-11-23(17-5-4-6-18(27)13-17)29-15-20(19-7-2-3-8-24(19)29)16-9-10-21(25)22(26)14-16/h2-10,13-15,23,28H,11-12H2,1H3
InChIKeyLGHIBAASXJYWDC-UHFFFAOYSA-N
XLogP6.95
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.35
LogP ≤ 56.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-fluorophenyl)-N-methyl-3-[3-[3-(trifluoromethyl)phenyl]indol-1-yl]propan-1-amine
CID 141126993
1-[1-(3-fluorophenyl)propyl]-3-[3-(trifluoromethyl)phenyl]indole
CID 141126920
1-[1-(3-fluorophenyl)propyl]-3-propan-2-ylindole
CID 150635589
(3R)-3-(benzotriazol-2-yl)-3-(3,4-dichlorophenyl)-N-methylpropan-1-amine
CID 66677303
(2S,3S)-3-[3-(2-chlorophenyl)indol-1-yl]-3-(3-fluorophenyl)propane-1,2-diol
CID 68902935
3-(4-chloroindol-1-yl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 58088506
3-(4-fluorophenyl)-3-indol-1-yl-N-methylpropan-1-amine
CID 58088567
(3S)-3-(3,4-dichlorophenyl)-N-methyl-3-naphthalen-1-ylpropan-1-amine
CID 44569481
(1S,2R)-1-(3-fluorophenyl)-3-(methylamino)-1-(3-propan-2-ylindol-1-yl)propan-2-ol
CID 25253859
(1R)-N-[1-(3,4-dichlorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 81369376
N-[(3,4-dichlorophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 43492851
(1S,2R)-1-(3-fluorophenyl)-3-(methylamino)-1-[3-(2-propan-2-yloxyphenyl)indol-1-yl]propan-2-ol;methane;sulfane
CID 160611906

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,4-dichlorophenyl)indol-1-yl]-3-(3-fluorophenyl)-N-methylpropan-1-amine?
The IUPAC name of 3-[3-(3,4-dichlorophenyl)indol-1-yl]-3-(3-fluorophenyl)-N-methylpropan-1-amine (CID 141127005) is 3-[3-(3,4-dichlorophenyl)indol-1-yl]-3-(3-fluorophenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-[3-(3,4-dichlorophenyl)indol-1-yl]-3-(3-fluorophenyl)-N-methylpropan-1-amine?
The canonical SMILES for 3-[3-(3,4-dichlorophenyl)indol-1-yl]-3-(3-fluorophenyl)-N-methylpropan-1-amine is CNCCC(c1cccc(F)c1)n1cc(-c2ccc(Cl)c(Cl)c2)c2ccccc21.
What is the InChIKey of 3-[3-(3,4-dichlorophenyl)indol-1-yl]-3-(3-fluorophenyl)-N-methylpropan-1-amine?
The InChIKey is LGHIBAASXJYWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2FN2/c1-28-12-11-23(17-5-4-6-18(27)13-17)29-15-20(19-7-2-3-8-24(19)29)16-9-10-21(25)22(26)14-16/h2-10,13-15,23,28H,11-12H2,1H3.
What are the key properties of 3-[3-(3,4-dichlorophenyl)indol-1-yl]-3-(3-fluorophenyl)-N-methylpropan-1-amine?
3-[3-(3,4-dichlorophenyl)indol-1-yl]-3-(3-fluorophenyl)-N-methylpropan-1-amine has a molecular weight of 427.35 g/mol, XLogP of 6.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,4-dichlorophenyl)indol-1-yl]-3-(3-fluorophenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 141127005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).