5-butyl-2-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-indole

C20H25NO — CID 4014810

IUPAC5-butyl-2-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-indole
SMILESCCCCc1ccc2c(c1)CC(c1ccc(OC)c(C)c1)N2
InChIInChI=1S/C20H25NO/c1-4-5-6-15-7-9-18-17(12-15)13-19(21-18)16-8-10-20(22-3)14(2)11-16/h7-12,19,21H,4-6,13H2,1-3H3
InChIKeyXWGSYKPIKRKANB-UHFFFAOYSA-N
MW295.43 g/mol
LogP5.06
Rot. Bonds5

About 5-butyl-2-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-indole

5-butyl-2-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-indole (PubChem CID 4014810) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 5-butyl-2-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-butyl-2-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-indole
PubChem CID4014810
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name5-butyl-2-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-indole
SMILESCCCCc1ccc2c(c1)CC(c1ccc(OC)c(C)c1)N2
InChIInChI=1S/C20H25NO/c1-4-5-6-15-7-9-18-17(12-15)13-19(21-18)16-8-10-20(22-3)14(2)11-16/h7-12,19,21H,4-6,13H2,1-3H3
InChIKeyXWGSYKPIKRKANB-UHFFFAOYSA-N
XLogP5.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.43
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-butyl-2-(2-methoxyphenyl)-2,3-dihydro-1H-indole
CID 3984067
5-butyl-2,3-dihydro-1H-indol-2-ol
CID 141157926
2-(4-methoxy-3-methylphenyl)-7-methyl-2,3-dihydro-1H-indole
CID 5224986
(2R)-2-(4-methoxy-3-methylphenyl)azetidine
CID 130665442
5-butyl-2-cyclohexyl-2,3-dihydro-1H-indole
CID 4218293
2-(4-tert-butylphenyl)-5-ethyl-2,3-dihydro-1H-indole
CID 5134941
2-(4-methoxy-3-methylphenyl)-7-propan-2-yl-2,3-dihydro-1H-indole
CID 3403694
5-chloro-7-fluoro-2-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-indole
CID 4311958
2-[2-(4-butyl-2-methoxyphenyl)ethyl]oxirane
CID 89049664
2-(4-methoxy-3-methylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 3347331
4-(5,6-dimethoxy-2,3-dihydro-1H-indol-2-yl)aniline
CID 141058768
2-(3-propylphenyl)-2,3-dihydro-1H-indole
CID 116545623

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-indole?
The IUPAC name of 5-butyl-2-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-indole (CID 4014810) is 5-butyl-2-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-butyl-2-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 5-butyl-2-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-indole is CCCCc1ccc2c(c1)CC(c1ccc(OC)c(C)c1)N2.
What is the InChIKey of 5-butyl-2-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-indole?
The InChIKey is XWGSYKPIKRKANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-4-5-6-15-7-9-18-17(12-15)13-19(21-18)16-8-10-20(22-3)14(2)11-16/h7-12,19,21H,4-6,13H2,1-3H3.
What are the key properties of 5-butyl-2-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-indole?
5-butyl-2-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-indole has a molecular weight of 295.43 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 4014810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).