6-methoxy-1-methyl-2-(4-methylphenyl)-2,3-dihydroindole

C17H19NO — CID 57250330

IUPAC6-methoxy-1-methyl-2-(4-methylphenyl)-2,3-dihydroindole
SMILESCOc1ccc2c(c1)N(C)C(c1ccc(C)cc1)C2
InChIInChI=1S/C17H19NO/c1-12-4-6-13(7-5-12)16-10-14-8-9-15(19-3)11-17(14)18(16)2/h4-9,11,16H,10H2,1-3H3
InChIKeyYGJOCYSMUZTKTK-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.74
Rot. Bonds2

About 6-methoxy-1-methyl-2-(4-methylphenyl)-2,3-dihydroindole

6-methoxy-1-methyl-2-(4-methylphenyl)-2,3-dihydroindole (PubChem CID 57250330) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 6-methoxy-1-methyl-2-(4-methylphenyl)-2,3-dihydroindole.

Molecular Properties

Compound Name6-methoxy-1-methyl-2-(4-methylphenyl)-2,3-dihydroindole
PubChem CID57250330
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name6-methoxy-1-methyl-2-(4-methylphenyl)-2,3-dihydroindole
SMILESCOc1ccc2c(c1)N(C)C(c1ccc(C)cc1)C2
InChIInChI=1S/C17H19NO/c1-12-4-6-13(7-5-12)16-10-14-8-9-15(19-3)11-17(14)18(16)2/h4-9,11,16H,10H2,1-3H3
InChIKeyYGJOCYSMUZTKTK-UHFFFAOYSA-N
XLogP3.74
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-(4-methoxyphenyl)-2,3-dimethyl-4,5-dihydro-1,3-benzodiazepine
CID 124525058
(4R)-4-(4-methoxyphenyl)-2,3-dimethyl-4,5-dihydro-1,3-benzodiazepine
CID 124525057
8-methoxy-1-(4-methylphenyl)sulfonyl-2,3,4,5-tetrahydro-1-benzazepin-4-ol
CID 10712674
7-methoxy-N,1-dimethyl-3,4-dihydro-2H-quinolin-3-amine
CID 83833452
2,6-bis(4-methoxyphenyl)-1-methylpiperidin-4-one
CID 14047057
1-[(3R)-5-(2,5-dimethoxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 100766562
methyl 2-(4-chlorophenyl)-4-hydroxy-7-methoxy-1-methyl-2,3-dihydroquinoline-4-carboxylate
CID 10926522
5-methoxy-3-(5-methoxy-1-methyl-2,3-dihydroindol-2-yl)-1-methylindole
CID 177391980
3-methoxy-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-amine
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1-(113C)methoxy-4-methylbenzene
CID 166176950
2,3-dimethyl-4-(4-methylphenyl)-4,5-dihydro-1,3-benzodiazepine
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(2S)-2-(4-methoxyphenyl)-1-methylpyrrolidine
CID 92850085

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-methyl-2-(4-methylphenyl)-2,3-dihydroindole?
The IUPAC name of 6-methoxy-1-methyl-2-(4-methylphenyl)-2,3-dihydroindole (CID 57250330) is 6-methoxy-1-methyl-2-(4-methylphenyl)-2,3-dihydroindole.
What is the SMILES notation for 6-methoxy-1-methyl-2-(4-methylphenyl)-2,3-dihydroindole?
The canonical SMILES for 6-methoxy-1-methyl-2-(4-methylphenyl)-2,3-dihydroindole is COc1ccc2c(c1)N(C)C(c1ccc(C)cc1)C2.
What is the InChIKey of 6-methoxy-1-methyl-2-(4-methylphenyl)-2,3-dihydroindole?
The InChIKey is YGJOCYSMUZTKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-12-4-6-13(7-5-12)16-10-14-8-9-15(19-3)11-17(14)18(16)2/h4-9,11,16H,10H2,1-3H3.
What are the key properties of 6-methoxy-1-methyl-2-(4-methylphenyl)-2,3-dihydroindole?
6-methoxy-1-methyl-2-(4-methylphenyl)-2,3-dihydroindole has a molecular weight of 253.34 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-methyl-2-(4-methylphenyl)-2,3-dihydroindole is sourced from PubChem (CID 57250330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).