1-benzyl-7-(2-methylpropyl)indole

C19H21N — CID 59836563

IUPAC1-benzyl-7-(2-methylpropyl)indole
SMILESCC(C)Cc1cccc2ccn(Cc3ccccc3)c12
InChIInChI=1S/C19H21N/c1-15(2)13-18-10-6-9-17-11-12-20(19(17)18)14-16-7-4-3-5-8-16/h3-12,15H,13-14H2,1-2H3
InChIKeyRMEDFMKRXGFYBQ-UHFFFAOYSA-N
MW263.38 g/mol
LogP4.89
Rot. Bonds4

About 1-benzyl-7-(2-methylpropyl)indole

1-benzyl-7-(2-methylpropyl)indole (PubChem CID 59836563) has the molecular formula C19H21N and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-benzyl-7-(2-methylpropyl)indole.

Molecular Properties

Compound Name1-benzyl-7-(2-methylpropyl)indole
PubChem CID59836563
Molecular FormulaC19H21N
Molecular Weight263.38 g/mol
Exact Mass263.17
IUPAC Name1-benzyl-7-(2-methylpropyl)indole
SMILESCC(C)Cc1cccc2ccn(Cc3ccccc3)c12
InChIInChI=1S/C19H21N/c1-15(2)13-18-10-6-9-17-11-12-20(19(17)18)14-16-7-4-3-5-8-16/h3-12,15H,13-14H2,1-2H3
InChIKeyRMEDFMKRXGFYBQ-UHFFFAOYSA-N
XLogP4.89
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-7-(2-methylpropyl)indole?
The IUPAC name of 1-benzyl-7-(2-methylpropyl)indole (CID 59836563) is 1-benzyl-7-(2-methylpropyl)indole.
What is the SMILES notation for 1-benzyl-7-(2-methylpropyl)indole?
The canonical SMILES for 1-benzyl-7-(2-methylpropyl)indole is CC(C)Cc1cccc2ccn(Cc3ccccc3)c12.
What is the InChIKey of 1-benzyl-7-(2-methylpropyl)indole?
The InChIKey is RMEDFMKRXGFYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N/c1-15(2)13-18-10-6-9-17-11-12-20(19(17)18)14-16-7-4-3-5-8-16/h3-12,15H,13-14H2,1-2H3.
What are the key properties of 1-benzyl-7-(2-methylpropyl)indole?
1-benzyl-7-(2-methylpropyl)indole has a molecular weight of 263.38 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-7-(2-methylpropyl)indole is sourced from PubChem (CID 59836563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).