3-butyl-5-chloro-2-[1-(4-propylphenyl)ethyl]-1H-indole

C23H28ClN — CID 168972622

IUPAC3-butyl-5-chloro-2-[1-(4-propylphenyl)ethyl]-1H-indole
SMILESCCCCc1c(C(C)c2ccc(CCC)cc2)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C23H28ClN/c1-4-6-8-20-21-15-19(24)13-14-22(21)25-23(20)16(3)18-11-9-17(7-5-2)10-12-18/h9-16,25H,4-8H2,1-3H3
InChIKeyFSGAXTCEDWWJLC-UHFFFAOYSA-N
MW353.94 g/mol
LogP7.27
Rot. Bonds7

About 3-butyl-5-chloro-2-[1-(4-propylphenyl)ethyl]-1H-indole

3-butyl-5-chloro-2-[1-(4-propylphenyl)ethyl]-1H-indole (PubChem CID 168972622) has the molecular formula C23H28ClN and a molecular weight of 353.94 g/mol. Its IUPAC name is 3-butyl-5-chloro-2-[1-(4-propylphenyl)ethyl]-1H-indole.

Molecular Properties

Compound Name3-butyl-5-chloro-2-[1-(4-propylphenyl)ethyl]-1H-indole
PubChem CID168972622
Molecular FormulaC23H28ClN
Molecular Weight353.94 g/mol
Exact Mass353.19
IUPAC Name3-butyl-5-chloro-2-[1-(4-propylphenyl)ethyl]-1H-indole
SMILESCCCCc1c(C(C)c2ccc(CCC)cc2)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C23H28ClN/c1-4-6-8-20-21-15-19(24)13-14-22(21)25-23(20)16(3)18-11-9-17(7-5-2)10-12-18/h9-16,25H,4-8H2,1-3H3
InChIKeyFSGAXTCEDWWJLC-UHFFFAOYSA-N
XLogP7.27
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.94
LogP ≤ 57.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

3-butyl-2-[1-(4-butylphenyl)ethyl]-5-chloro-6-fluoro-1H-indole
CID 168972759
CID 168972349
CID 168972349
3-butyl-5-chloro-2-[(1S)-1-(4-methylphenyl)ethyl]-1H-indole;2-methylpent-1-ene;N-[(E)-pent-2-en-2-yl]propan-1-imine
CID 168972420
3-butyl-5-chloro-2-[1-(4-ethylphenyl)ethyl]-1H-indole;1-propoxypropane;N-[(1Z)-3-(trifluoromethyl)buta-1,3-dienyl]pentan-2-imine
CID 168972315
4-[1-(3-butyl-5-chloro-6-fluoro-1H-indol-2-yl)ethyl]benzonitrile
CID 168972363
3-butyl-5-chloro-2-[1-(3-fluoro-4-methylphenyl)ethyl]-1H-indole;N-[(1Z)-3-(trifluoromethyl)buta-1,3-dienyl]pentan-2-imine
CID 168972325
4-[5-chloro-2-(4-ethylphenyl)-1H-indol-3-yl]butan-1-amine
CID 3990175
3-butyl-5-chloro-2-[1-(4-ethyl-2-fluorophenyl)ethyl]-1H-indole;1-propoxypropane;N-[(1Z)-3-(trifluoromethyl)buta-1,3-dienyl]pentan-2-imine
CID 168972695
3-butyl-5-chloro-2-[1-(2,3-difluoro-4-methylphenyl)ethyl]-1H-indole;N-[(E)-pent-2-en-2-yl]butan-2-imine;3,3,3-trifluoro-2-methylprop-1-ene
CID 168972421
4-[5-butyl-2-(3-chlorophenyl)-1H-indol-3-yl]butan-1-amine
CID 3340482
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-ethylethanamine
CID 82496893
5-chloro-3-ethyl-N-[2-[4-(hexanoylamino)phenyl]ethyl]-1H-indole-2-carboxamide
CID 118727855

Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-chloro-2-[1-(4-propylphenyl)ethyl]-1H-indole?
The IUPAC name of 3-butyl-5-chloro-2-[1-(4-propylphenyl)ethyl]-1H-indole (CID 168972622) is 3-butyl-5-chloro-2-[1-(4-propylphenyl)ethyl]-1H-indole.
What is the SMILES notation for 3-butyl-5-chloro-2-[1-(4-propylphenyl)ethyl]-1H-indole?
The canonical SMILES for 3-butyl-5-chloro-2-[1-(4-propylphenyl)ethyl]-1H-indole is CCCCc1c(C(C)c2ccc(CCC)cc2)[nH]c2ccc(Cl)cc12.
What is the InChIKey of 3-butyl-5-chloro-2-[1-(4-propylphenyl)ethyl]-1H-indole?
The InChIKey is FSGAXTCEDWWJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN/c1-4-6-8-20-21-15-19(24)13-14-22(21)25-23(20)16(3)18-11-9-17(7-5-2)10-12-18/h9-16,25H,4-8H2,1-3H3.
What are the key properties of 3-butyl-5-chloro-2-[1-(4-propylphenyl)ethyl]-1H-indole?
3-butyl-5-chloro-2-[1-(4-propylphenyl)ethyl]-1H-indole has a molecular weight of 353.94 g/mol, XLogP of 7.27, 7 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-chloro-2-[1-(4-propylphenyl)ethyl]-1H-indole is sourced from PubChem (CID 168972622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).