2-(2,5-dimethylphenyl)-3H-indole

C16H15N — CID 118351581

IUPAC2-(2,5-dimethylphenyl)-3H-indole
SMILESCc1ccc(C)c(C2=Nc3ccccc3C2)c1
InChIInChI=1S/C16H15N/c1-11-7-8-12(2)14(9-11)16-10-13-5-3-4-6-15(13)17-16/h3-9H,10H2,1-2H3
InChIKeyVGAUTDXVNOFPQE-UHFFFAOYSA-N
MW221.30 g/mol
LogP3.98
Rot. Bonds1

About 2-(2,5-dimethylphenyl)-3H-indole

2-(2,5-dimethylphenyl)-3H-indole (PubChem CID 118351581) has the molecular formula C16H15N and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-3H-indole.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-3H-indole
PubChem CID118351581
Molecular FormulaC16H15N
Molecular Weight221.30 g/mol
Exact Mass221.12
IUPAC Name2-(2,5-dimethylphenyl)-3H-indole
SMILESCc1ccc(C)c(C2=Nc3ccccc3C2)c1
InChIInChI=1S/C16H15N/c1-11-7-8-12(2)14(9-11)16-10-13-5-3-4-6-15(13)17-16/h3-9H,10H2,1-2H3
InChIKeyVGAUTDXVNOFPQE-UHFFFAOYSA-N
XLogP3.98
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3,3-Trimethylbenzoindolenine
CID 170530
3H-Indole, 2,3,3-trimethyl-
CID 15427
Morphanthridine
CID 10878016
9-(Phenylimino)fluorene
CID 225986
2,3-Bis(2,6-diisopropylphenylimino)butane
CID 608871
2,3,3-Trimethyl-3H-benzo(g)indole
CID 12871551
3H-Indole, 2,3,3,5-tetramethyl-
CID 117693
N,1-diphenylethan-1-imine
CID 555698
3H-Indole, 3,3-dimethyl-2-phenyl-
CID 138796
4A-Methyl-2,3,4,4A-tetrahydro-1H-carbazole
CID 3292772
Indolo(3,2-b)carbazole
CID 114764
3-(2-Methylphenyl)iminoisoindol-1-amine
CID 2309618

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-3H-indole?
The IUPAC name of 2-(2,5-dimethylphenyl)-3H-indole (CID 118351581) is 2-(2,5-dimethylphenyl)-3H-indole.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-3H-indole?
The canonical SMILES for 2-(2,5-dimethylphenyl)-3H-indole is Cc1ccc(C)c(C2=Nc3ccccc3C2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-3H-indole?
The InChIKey is VGAUTDXVNOFPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N/c1-11-7-8-12(2)14(9-11)16-10-13-5-3-4-6-15(13)17-16/h3-9H,10H2,1-2H3.
What are the key properties of 2-(2,5-dimethylphenyl)-3H-indole?
2-(2,5-dimethylphenyl)-3H-indole has a molecular weight of 221.30 g/mol, XLogP of 3.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-3H-indole is sourced from PubChem (CID 118351581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).