4,6-dimethyl-1-phenylindole;ethane

C20H27N — CID 156724635

IUPAC4,6-dimethyl-1-phenylindole;ethane
SMILESCC.CC.Cc1cc(C)c2ccn(-c3ccccc3)c2c1
InChIInChI=1S/C16H15N.2C2H6/c1-12-10-13(2)15-8-9-17(16(15)11-12)14-6-4-3-5-7-14;2*1-2/h3-11H,1-2H3;2*1-2H3
InChIKeyRSLBTNZUWWUALL-UHFFFAOYSA-N
MW281.44 g/mol
LogP6.30
Rot. Bonds1

About 4,6-dimethyl-1-phenylindole;ethane

4,6-dimethyl-1-phenylindole;ethane (PubChem CID 156724635) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 4,6-dimethyl-1-phenylindole;ethane.

Molecular Properties

Compound Name4,6-dimethyl-1-phenylindole;ethane
PubChem CID156724635
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name4,6-dimethyl-1-phenylindole;ethane
SMILESCC.CC.Cc1cc(C)c2ccn(-c3ccccc3)c2c1
InChIInChI=1S/C16H15N.2C2H6/c1-12-10-13(2)15-8-9-17(16(15)11-12)14-6-4-3-5-7-14;2*1-2/h3-11H,1-2H3;2*1-2H3
InChIKeyRSLBTNZUWWUALL-UHFFFAOYSA-N
XLogP6.30
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.44
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-1-phenylindole
CID 138964714
1-phenyl-2-(2,4,6-trimethylphenyl)pyrrole
CID 102583859
4-(4-methylindol-1-yl)benzaldehyde
CID 139851762
1-ethyl-4,6-dimethylindole
CID 118407006
1,9-diphenylpyrido[3,2-g]quinoline-4,6-dione
CID 146334082
3-diphenylphosphoryl-1,5,7-trimethylquinolin-2-one
CID 132608908
7,11-dimethyl-3-phenyl-10-(2,4,6-trimethylphenyl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene
CID 22249955
2-(4,6-dimethylindol-1-yl)ethanamine
CID 82490848
4-(bromomethyl)-1-phenylindole
CID 150329569
5-methyl-4-(2-methylphenyl)-1-phenylpyrrolo[3,2-c]pyridin-5-ium
CID 169055592
4-(5-methyl-2-pyridinyl)-1-phenylindole-6-carboxylic acid
CID 67512149
1,3-dimethylnaphthalene;ethane
CID 145447624

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1-phenylindole;ethane?
The IUPAC name of 4,6-dimethyl-1-phenylindole;ethane (CID 156724635) is 4,6-dimethyl-1-phenylindole;ethane.
What is the SMILES notation for 4,6-dimethyl-1-phenylindole;ethane?
The canonical SMILES for 4,6-dimethyl-1-phenylindole;ethane is CC.CC.Cc1cc(C)c2ccn(-c3ccccc3)c2c1.
What is the InChIKey of 4,6-dimethyl-1-phenylindole;ethane?
The InChIKey is RSLBTNZUWWUALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N.2C2H6/c1-12-10-13(2)15-8-9-17(16(15)11-12)14-6-4-3-5-7-14;2*1-2/h3-11H,1-2H3;2*1-2H3.
What are the key properties of 4,6-dimethyl-1-phenylindole;ethane?
4,6-dimethyl-1-phenylindole;ethane has a molecular weight of 281.44 g/mol, XLogP of 6.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1-phenylindole;ethane is sourced from PubChem (CID 156724635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).