3-benzyl-1-ethyl-5-methyl-2,3-dihydroindole

C18H21N — CID 83960227

IUPAC3-benzyl-1-ethyl-5-methyl-2,3-dihydroindole
SMILESCCN1CC(Cc2ccccc2)c2cc(C)ccc21
InChIInChI=1S/C18H21N/c1-3-19-13-16(12-15-7-5-4-6-8-15)17-11-14(2)9-10-18(17)19/h4-11,16H,3,12-13H2,1-2H3
InChIKeyMBGTZLFRLFVXSX-UHFFFAOYSA-N
MW251.37 g/mol
LogP4.16
Rot. Bonds3

About 3-benzyl-1-ethyl-5-methyl-2,3-dihydroindole

3-benzyl-1-ethyl-5-methyl-2,3-dihydroindole (PubChem CID 83960227) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-benzyl-1-ethyl-5-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name3-benzyl-1-ethyl-5-methyl-2,3-dihydroindole
PubChem CID83960227
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name3-benzyl-1-ethyl-5-methyl-2,3-dihydroindole
SMILESCCN1CC(Cc2ccccc2)c2cc(C)ccc21
InChIInChI=1S/C18H21N/c1-3-19-13-16(12-15-7-5-4-6-8-15)17-11-14(2)9-10-18(17)19/h4-11,16H,3,12-13H2,1-2H3
InChIKeyMBGTZLFRLFVXSX-UHFFFAOYSA-N
XLogP4.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-ethyl-5-methyl-2,3-dihydroindole?
The IUPAC name of 3-benzyl-1-ethyl-5-methyl-2,3-dihydroindole (CID 83960227) is 3-benzyl-1-ethyl-5-methyl-2,3-dihydroindole.
What is the SMILES notation for 3-benzyl-1-ethyl-5-methyl-2,3-dihydroindole?
The canonical SMILES for 3-benzyl-1-ethyl-5-methyl-2,3-dihydroindole is CCN1CC(Cc2ccccc2)c2cc(C)ccc21.
What is the InChIKey of 3-benzyl-1-ethyl-5-methyl-2,3-dihydroindole?
The InChIKey is MBGTZLFRLFVXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-3-19-13-16(12-15-7-5-4-6-8-15)17-11-14(2)9-10-18(17)19/h4-11,16H,3,12-13H2,1-2H3.
What are the key properties of 3-benzyl-1-ethyl-5-methyl-2,3-dihydroindole?
3-benzyl-1-ethyl-5-methyl-2,3-dihydroindole has a molecular weight of 251.37 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-ethyl-5-methyl-2,3-dihydroindole is sourced from PubChem (CID 83960227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).