1-benzyl-3-ethyl-4,5,6,7-tetrahydroindole

C17H21N — CID 15438946

IUPAC1-benzyl-3-ethyl-4,5,6,7-tetrahydroindole
SMILESCCc1cn(Cc2ccccc2)c2c1CCCC2
InChIInChI=1S/C17H21N/c1-2-15-13-18(12-14-8-4-3-5-9-14)17-11-7-6-10-16(15)17/h3-5,8-9,13H,2,6-7,10-12H2,1H3
InChIKeyHBTMUFNNPQBSLS-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.98
Rot. Bonds3

About 1-benzyl-3-ethyl-4,5,6,7-tetrahydroindole

1-benzyl-3-ethyl-4,5,6,7-tetrahydroindole (PubChem CID 15438946) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-benzyl-3-ethyl-4,5,6,7-tetrahydroindole.

Molecular Properties

Compound Name1-benzyl-3-ethyl-4,5,6,7-tetrahydroindole
PubChem CID15438946
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name1-benzyl-3-ethyl-4,5,6,7-tetrahydroindole
SMILESCCc1cn(Cc2ccccc2)c2c1CCCC2
InChIInChI=1S/C17H21N/c1-2-15-13-18(12-14-8-4-3-5-9-14)17-11-7-6-10-16(15)17/h3-5,8-9,13H,2,6-7,10-12H2,1H3
InChIKeyHBTMUFNNPQBSLS-UHFFFAOYSA-N
XLogP3.98
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-ethyl-4,5,6,7-tetrahydroindole?
The IUPAC name of 1-benzyl-3-ethyl-4,5,6,7-tetrahydroindole (CID 15438946) is 1-benzyl-3-ethyl-4,5,6,7-tetrahydroindole.
What is the SMILES notation for 1-benzyl-3-ethyl-4,5,6,7-tetrahydroindole?
The canonical SMILES for 1-benzyl-3-ethyl-4,5,6,7-tetrahydroindole is CCc1cn(Cc2ccccc2)c2c1CCCC2.
What is the InChIKey of 1-benzyl-3-ethyl-4,5,6,7-tetrahydroindole?
The InChIKey is HBTMUFNNPQBSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-2-15-13-18(12-14-8-4-3-5-9-14)17-11-7-6-10-16(15)17/h3-5,8-9,13H,2,6-7,10-12H2,1H3.
What are the key properties of 1-benzyl-3-ethyl-4,5,6,7-tetrahydroindole?
1-benzyl-3-ethyl-4,5,6,7-tetrahydroindole has a molecular weight of 239.36 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-ethyl-4,5,6,7-tetrahydroindole is sourced from PubChem (CID 15438946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).