6-(3,5-dimethylphenyl)-1H-indole

C16H15N — CID 169241911

IUPAC6-(3,5-dimethylphenyl)-1H-indole
SMILESCc1cc(C)cc(-c2ccc3cc[nH]c3c2)c1
InChIInChI=1S/C16H15N/c1-11-7-12(2)9-15(8-11)14-4-3-13-5-6-17-16(13)10-14/h3-10,17H,1-2H3
InChIKeyKTHBNIGGVSSIJW-UHFFFAOYSA-N
MW221.30 g/mol
LogP4.45
Rot. Bonds1

About 6-(3,5-dimethylphenyl)-1H-indole

6-(3,5-dimethylphenyl)-1H-indole (PubChem CID 169241911) has the molecular formula C16H15N and a molecular weight of 221.30 g/mol. Its IUPAC name is 6-(3,5-dimethylphenyl)-1H-indole.

Molecular Properties

Compound Name6-(3,5-dimethylphenyl)-1H-indole
PubChem CID169241911
Molecular FormulaC16H15N
Molecular Weight221.30 g/mol
Exact Mass221.12
IUPAC Name6-(3,5-dimethylphenyl)-1H-indole
SMILESCc1cc(C)cc(-c2ccc3cc[nH]c3c2)c1
InChIInChI=1S/C16H15N/c1-11-7-12(2)9-15(8-11)14-4-3-13-5-6-17-16(13)10-14/h3-10,17H,1-2H3
InChIKeyKTHBNIGGVSSIJW-UHFFFAOYSA-N
XLogP4.45
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

hydron;6-methyl-1H-indole
CID 174894355
6-(1H-pyrrol-3-yl)-1H-indole
CID 67416274
6-pyridin-4-yl-1H-indole
CID 46315865
2,6-difluoro-4-(1H-indol-6-yl)aniline
CID 19803477
1-[4-(1H-indol-6-yl)phenyl]-N,N-dimethylmethanamine
CID 136575576
6-(3-chlorophenyl)-1H-indole
CID 22049229
3,6-bis(3,5-dimethylphenyl)phenanthrene
CID 91501927
6-(1H-indol-6-yl)-5-methylpyridazin-3-amine
CID 170605331
6-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-indole
CID 90905265
3,6-bis(3,5-dimethylphenyl)-9H-carbazole
CID 58518468
6-(2,4-difluorophenyl)-1H-indole
CID 59107896
6-naphthalen-1-yl-1H-indole
CID 19779684

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylphenyl)-1H-indole?
The IUPAC name of 6-(3,5-dimethylphenyl)-1H-indole (CID 169241911) is 6-(3,5-dimethylphenyl)-1H-indole.
What is the SMILES notation for 6-(3,5-dimethylphenyl)-1H-indole?
The canonical SMILES for 6-(3,5-dimethylphenyl)-1H-indole is Cc1cc(C)cc(-c2ccc3cc[nH]c3c2)c1.
What is the InChIKey of 6-(3,5-dimethylphenyl)-1H-indole?
The InChIKey is KTHBNIGGVSSIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N/c1-11-7-12(2)9-15(8-11)14-4-3-13-5-6-17-16(13)10-14/h3-10,17H,1-2H3.
What are the key properties of 6-(3,5-dimethylphenyl)-1H-indole?
6-(3,5-dimethylphenyl)-1H-indole has a molecular weight of 221.30 g/mol, XLogP of 4.45, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylphenyl)-1H-indole is sourced from PubChem (CID 169241911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).