2-methyl-5-[(2-methylpropan-2-yl)oxy]-3-(2-phenylethyl)-1-propylindole

C24H31NO — CID 56611670

IUPAC2-methyl-5-[(2-methylpropan-2-yl)oxy]-3-(2-phenylethyl)-1-propylindole
SMILESCCCn1c(C)c(CCc2ccccc2)c2cc(OC(C)(C)C)ccc21
InChIInChI=1S/C24H31NO/c1-6-16-25-18(2)21(14-12-19-10-8-7-9-11-19)22-17-20(13-15-23(22)25)26-24(3,4)5/h7-11,13,15,17H,6,12,14,16H2,1-5H3
InChIKeyFIRDOKVAROXHDC-UHFFFAOYSA-N
MW349.52 g/mol
LogP6.32
Rot. Bonds6

About 2-methyl-5-[(2-methylpropan-2-yl)oxy]-3-(2-phenylethyl)-1-propylindole

2-methyl-5-[(2-methylpropan-2-yl)oxy]-3-(2-phenylethyl)-1-propylindole (PubChem CID 56611670) has the molecular formula C24H31NO and a molecular weight of 349.52 g/mol. Its IUPAC name is 2-methyl-5-[(2-methylpropan-2-yl)oxy]-3-(2-phenylethyl)-1-propylindole.

Molecular Properties

Compound Name2-methyl-5-[(2-methylpropan-2-yl)oxy]-3-(2-phenylethyl)-1-propylindole
PubChem CID56611670
Molecular FormulaC24H31NO
Molecular Weight349.52 g/mol
Exact Mass349.24
IUPAC Name2-methyl-5-[(2-methylpropan-2-yl)oxy]-3-(2-phenylethyl)-1-propylindole
SMILESCCCn1c(C)c(CCc2ccccc2)c2cc(OC(C)(C)C)ccc21
InChIInChI=1S/C24H31NO/c1-6-16-25-18(2)21(14-12-19-10-8-7-9-11-19)22-17-20(13-15-23(22)25)26-24(3,4)5/h7-11,13,15,17H,6,12,14,16H2,1-5H3
InChIKeyFIRDOKVAROXHDC-UHFFFAOYSA-N
XLogP6.32
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.52
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

3-(2-chlorophenyl)-2-methyl-5-[(2-methylpropan-2-yl)oxy]-1-propylindole
CID 56608954
4-[3-methyl-5-[(2-methylpropan-2-yl)oxy]-1-propylindol-2-yl]aniline
CID 56624723
3-(5-methoxy-2-methyl-1-octadecylindol-3-yl)propanoic acid
CID 70340163
1,3-dibutyl-2-methylindole-5-carboxylic acid
CID 83944299
2-methyl-1-(2-phenylethyl)-5-phenylmethoxyindole-3-carbaldehyde
CID 99991388
(2-methyl-1-propylindol-3-yl)methanol
CID 91556176
(5-butan-2-yloxy-1-butyl-2-methylindol-3-yl)methanamine
CID 133202870
2-(5-methoxy-2-methyl-1-tetradecylindol-3-yl)acetic acid
CID 21191866
3-butyl-5-methoxy-1,2-dimethylindole
CID 129194050
5-ethoxy-2-methyl-1-propylindole-3-carbaldehyde
CID 99991192
5-methoxy-1,2-dimethyl-3-pentylindole
CID 129194157
2-[3-(4-chlorophenyl)-1-dodecyl-2-methylindol-5-yl]oxy-2-methylpropanoic acid
CID 20529167

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(2-methylpropan-2-yl)oxy]-3-(2-phenylethyl)-1-propylindole?
The IUPAC name of 2-methyl-5-[(2-methylpropan-2-yl)oxy]-3-(2-phenylethyl)-1-propylindole (CID 56611670) is 2-methyl-5-[(2-methylpropan-2-yl)oxy]-3-(2-phenylethyl)-1-propylindole.
What is the SMILES notation for 2-methyl-5-[(2-methylpropan-2-yl)oxy]-3-(2-phenylethyl)-1-propylindole?
The canonical SMILES for 2-methyl-5-[(2-methylpropan-2-yl)oxy]-3-(2-phenylethyl)-1-propylindole is CCCn1c(C)c(CCc2ccccc2)c2cc(OC(C)(C)C)ccc21.
What is the InChIKey of 2-methyl-5-[(2-methylpropan-2-yl)oxy]-3-(2-phenylethyl)-1-propylindole?
The InChIKey is FIRDOKVAROXHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO/c1-6-16-25-18(2)21(14-12-19-10-8-7-9-11-19)22-17-20(13-15-23(22)25)26-24(3,4)5/h7-11,13,15,17H,6,12,14,16H2,1-5H3.
What are the key properties of 2-methyl-5-[(2-methylpropan-2-yl)oxy]-3-(2-phenylethyl)-1-propylindole?
2-methyl-5-[(2-methylpropan-2-yl)oxy]-3-(2-phenylethyl)-1-propylindole has a molecular weight of 349.52 g/mol, XLogP of 6.32, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(2-methylpropan-2-yl)oxy]-3-(2-phenylethyl)-1-propylindole is sourced from PubChem (CID 56611670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).