3,3-dimethyl-2-phenylindole;ethane

C20H27N — CID 90996712

IUPAC3,3-dimethyl-2-phenylindole;ethane
SMILESCC.CC.CC1(C)C(c2ccccc2)=Nc2ccccc21
InChIInChI=1S/C16H15N.2C2H6/c1-16(2)13-10-6-7-11-14(13)17-15(16)12-8-4-3-5-9-12;2*1-2/h3-11H,1-2H3;2*1-2H3
InChIKeyURGPRPHEGMPMEB-UHFFFAOYSA-N
MW281.44 g/mol
LogP6.15
Rot. Bonds1

About 3,3-dimethyl-2-phenylindole;ethane

3,3-dimethyl-2-phenylindole;ethane (PubChem CID 90996712) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 3,3-dimethyl-2-phenylindole;ethane.

Molecular Properties

Compound Name3,3-dimethyl-2-phenylindole;ethane
PubChem CID90996712
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name3,3-dimethyl-2-phenylindole;ethane
SMILESCC.CC.CC1(C)C(c2ccccc2)=Nc2ccccc21
InChIInChI=1S/C16H15N.2C2H6/c1-16(2)13-10-6-7-11-14(13)17-15(16)12-8-4-3-5-9-12;2*1-2/h3-11H,1-2H3;2*1-2H3
InChIKeyURGPRPHEGMPMEB-UHFFFAOYSA-N
XLogP6.15
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.44
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-phenylindole;ethane?
The IUPAC name of 3,3-dimethyl-2-phenylindole;ethane (CID 90996712) is 3,3-dimethyl-2-phenylindole;ethane.
What is the SMILES notation for 3,3-dimethyl-2-phenylindole;ethane?
The canonical SMILES for 3,3-dimethyl-2-phenylindole;ethane is CC.CC.CC1(C)C(c2ccccc2)=Nc2ccccc21.
What is the InChIKey of 3,3-dimethyl-2-phenylindole;ethane?
The InChIKey is URGPRPHEGMPMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N.2C2H6/c1-16(2)13-10-6-7-11-14(13)17-15(16)12-8-4-3-5-9-12;2*1-2/h3-11H,1-2H3;2*1-2H3.
What are the key properties of 3,3-dimethyl-2-phenylindole;ethane?
3,3-dimethyl-2-phenylindole;ethane has a molecular weight of 281.44 g/mol, XLogP of 6.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-phenylindole;ethane is sourced from PubChem (CID 90996712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).