3-benzyl-1,5-dimethyl-2,3-dihydroindole

C17H19N — CID 83960221

IUPAC3-benzyl-1,5-dimethyl-2,3-dihydroindole
SMILESCc1ccc2c(c1)C(Cc1ccccc1)CN2C
InChIInChI=1S/C17H19N/c1-13-8-9-17-16(10-13)15(12-18(17)2)11-14-6-4-3-5-7-14/h3-10,15H,11-12H2,1-2H3
InChIKeyIJOGPQATTPQHAZ-UHFFFAOYSA-N
MW237.35 g/mol
LogP3.77
Rot. Bonds2

About 3-benzyl-1,5-dimethyl-2,3-dihydroindole

3-benzyl-1,5-dimethyl-2,3-dihydroindole (PubChem CID 83960221) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-benzyl-1,5-dimethyl-2,3-dihydroindole.

Molecular Properties

Compound Name3-benzyl-1,5-dimethyl-2,3-dihydroindole
PubChem CID83960221
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Name3-benzyl-1,5-dimethyl-2,3-dihydroindole
SMILESCc1ccc2c(c1)C(Cc1ccccc1)CN2C
InChIInChI=1S/C17H19N/c1-13-8-9-17-16(10-13)15(12-18(17)2)11-14-6-4-3-5-7-14/h3-10,15H,11-12H2,1-2H3
InChIKeyIJOGPQATTPQHAZ-UHFFFAOYSA-N
XLogP3.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1,5-dimethyl-2,3-dihydroindole?
The IUPAC name of 3-benzyl-1,5-dimethyl-2,3-dihydroindole (CID 83960221) is 3-benzyl-1,5-dimethyl-2,3-dihydroindole.
What is the SMILES notation for 3-benzyl-1,5-dimethyl-2,3-dihydroindole?
The canonical SMILES for 3-benzyl-1,5-dimethyl-2,3-dihydroindole is Cc1ccc2c(c1)C(Cc1ccccc1)CN2C.
What is the InChIKey of 3-benzyl-1,5-dimethyl-2,3-dihydroindole?
The InChIKey is IJOGPQATTPQHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N/c1-13-8-9-17-16(10-13)15(12-18(17)2)11-14-6-4-3-5-7-14/h3-10,15H,11-12H2,1-2H3.
What are the key properties of 3-benzyl-1,5-dimethyl-2,3-dihydroindole?
3-benzyl-1,5-dimethyl-2,3-dihydroindole has a molecular weight of 237.35 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1,5-dimethyl-2,3-dihydroindole is sourced from PubChem (CID 83960221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).