1-(3,5-dimethylphenyl)-6-methylindole

C17H17N — CID 102474206

IUPAC1-(3,5-dimethylphenyl)-6-methylindole
SMILESCc1cc(C)cc(-n2ccc3ccc(C)cc32)c1
InChIInChI=1S/C17H17N/c1-12-4-5-15-6-7-18(17(15)11-12)16-9-13(2)8-14(3)10-16/h4-11H,1-3H3
InChIKeyPVBZMMFLCWETHP-UHFFFAOYSA-N
MW235.33 g/mol
LogP4.56
Rot. Bonds1

About 1-(3,5-dimethylphenyl)-6-methylindole

1-(3,5-dimethylphenyl)-6-methylindole (PubChem CID 102474206) has the molecular formula C17H17N and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-6-methylindole.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-6-methylindole
PubChem CID102474206
Molecular FormulaC17H17N
Molecular Weight235.33 g/mol
Exact Mass235.14
IUPAC Name1-(3,5-dimethylphenyl)-6-methylindole
SMILESCc1cc(C)cc(-n2ccc3ccc(C)cc32)c1
InChIInChI=1S/C17H17N/c1-12-4-5-15-6-7-18(17(15)11-12)16-9-13(2)8-14(3)10-16/h4-11H,1-3H3
InChIKeyPVBZMMFLCWETHP-UHFFFAOYSA-N
XLogP4.56
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-methyl-1-(5-methylthiophen-3-yl)indole
CID 70851536
2-(6-methylindol-1-yl)aniline
CID 51032406
1-(2-methoxyphenyl)-6-methylindole
CID 150985868
1-(3,5-dimethylphenyl)indole;bis(1-methyl-2-[(Z)-prop-1-enyl]benzene)
CID 144815657
1-(2-bromoethyl)-6-methylindole
CID 130577129
9-(3,5-dimethylphenyl)-3,6-dimethylcarbazole
CID 138699297
1-(4-methylsulfanylphenyl)indol-6-amine
CID 142513871
5-methyl-1-(4-prop-1-en-2-ylphenyl)indole
CID 143656373
1-(2,2-difluoroethyl)-6-methylindole
CID 116546869
3,3-dimethyl-1-(6-methylindol-1-yl)butan-2-one
CID 62025224
bis(3,5-dimethylphenyl)-(6-methylnaphthalen-2-yl)phosphane
CID 173041319
1-(8-methyldibenzofuran-2-yl)indole;hydrobromide
CID 145083191

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-6-methylindole?
The IUPAC name of 1-(3,5-dimethylphenyl)-6-methylindole (CID 102474206) is 1-(3,5-dimethylphenyl)-6-methylindole.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-6-methylindole?
The canonical SMILES for 1-(3,5-dimethylphenyl)-6-methylindole is Cc1cc(C)cc(-n2ccc3ccc(C)cc32)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-6-methylindole?
The InChIKey is PVBZMMFLCWETHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N/c1-12-4-5-15-6-7-18(17(15)11-12)16-9-13(2)8-14(3)10-16/h4-11H,1-3H3.
What are the key properties of 1-(3,5-dimethylphenyl)-6-methylindole?
1-(3,5-dimethylphenyl)-6-methylindole has a molecular weight of 235.33 g/mol, XLogP of 4.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-6-methylindole is sourced from PubChem (CID 102474206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).