3,5-dimethyl-2-phenyl-1H-indole;ethane

C18H21N — CID 91536614

IUPAC3,5-dimethyl-2-phenyl-1H-indole;ethane
SMILESCC.Cc1ccc2[nH]c(-c3ccccc3)c(C)c2c1
InChIInChI=1S/C16H15N.C2H6/c1-11-8-9-15-14(10-11)12(2)16(17-15)13-6-4-3-5-7-13;1-2/h3-10,17H,1-2H3;1-2H3
InChIKeyHGJCRTFMVYINOL-UHFFFAOYSA-N
MW251.37 g/mol
LogP5.48
Rot. Bonds1

About 3,5-dimethyl-2-phenyl-1H-indole;ethane

3,5-dimethyl-2-phenyl-1H-indole;ethane (PubChem CID 91536614) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 3,5-dimethyl-2-phenyl-1H-indole;ethane.

Molecular Properties

Compound Name3,5-dimethyl-2-phenyl-1H-indole;ethane
PubChem CID91536614
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name3,5-dimethyl-2-phenyl-1H-indole;ethane
SMILESCC.Cc1ccc2[nH]c(-c3ccccc3)c(C)c2c1
InChIInChI=1S/C16H15N.C2H6/c1-11-8-9-15-14(10-11)12(2)16(17-15)13-6-4-3-5-7-13;1-2/h3-10,17H,1-2H3;1-2H3
InChIKeyHGJCRTFMVYINOL-UHFFFAOYSA-N
XLogP5.48
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.37
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-phenyl-1H-indole;ethane?
The IUPAC name of 3,5-dimethyl-2-phenyl-1H-indole;ethane (CID 91536614) is 3,5-dimethyl-2-phenyl-1H-indole;ethane.
What is the SMILES notation for 3,5-dimethyl-2-phenyl-1H-indole;ethane?
The canonical SMILES for 3,5-dimethyl-2-phenyl-1H-indole;ethane is CC.Cc1ccc2[nH]c(-c3ccccc3)c(C)c2c1.
What is the InChIKey of 3,5-dimethyl-2-phenyl-1H-indole;ethane?
The InChIKey is HGJCRTFMVYINOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N.C2H6/c1-11-8-9-15-14(10-11)12(2)16(17-15)13-6-4-3-5-7-13;1-2/h3-10,17H,1-2H3;1-2H3.
What are the key properties of 3,5-dimethyl-2-phenyl-1H-indole;ethane?
3,5-dimethyl-2-phenyl-1H-indole;ethane has a molecular weight of 251.37 g/mol, XLogP of 5.48, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-phenyl-1H-indole;ethane is sourced from PubChem (CID 91536614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).