5-(2-phenylpropyl)-3H-indole

C17H17N — CID 58480656

IUPAC5-(2-phenylpropyl)-3H-indole
SMILESCC(Cc1ccc2c(c1)CC=N2)c1ccccc1
InChIInChI=1S/C17H17N/c1-13(15-5-3-2-4-6-15)11-14-7-8-17-16(12-14)9-10-18-17/h2-8,10,12-13H,9,11H2,1H3
InChIKeyITZZJJGXKYCXRR-UHFFFAOYSA-N
MW235.33 g/mol
LogP4.29
Rot. Bonds3

About 5-(2-phenylpropyl)-3H-indole

5-(2-phenylpropyl)-3H-indole (PubChem CID 58480656) has the molecular formula C17H17N and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-(2-phenylpropyl)-3H-indole.

Molecular Properties

Compound Name5-(2-phenylpropyl)-3H-indole
PubChem CID58480656
Molecular FormulaC17H17N
Molecular Weight235.33 g/mol
Exact Mass235.14
IUPAC Name5-(2-phenylpropyl)-3H-indole
SMILESCC(Cc1ccc2c(c1)CC=N2)c1ccccc1
InChIInChI=1S/C17H17N/c1-13(15-5-3-2-4-6-15)11-14-7-8-17-16(12-14)9-10-18-17/h2-8,10,12-13H,9,11H2,1H3
InChIKeyITZZJJGXKYCXRR-UHFFFAOYSA-N
XLogP4.29
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylpropyl)-3H-indole?
The IUPAC name of 5-(2-phenylpropyl)-3H-indole (CID 58480656) is 5-(2-phenylpropyl)-3H-indole.
What is the SMILES notation for 5-(2-phenylpropyl)-3H-indole?
The canonical SMILES for 5-(2-phenylpropyl)-3H-indole is CC(Cc1ccc2c(c1)CC=N2)c1ccccc1.
What is the InChIKey of 5-(2-phenylpropyl)-3H-indole?
The InChIKey is ITZZJJGXKYCXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N/c1-13(15-5-3-2-4-6-15)11-14-7-8-17-16(12-14)9-10-18-17/h2-8,10,12-13H,9,11H2,1H3.
What are the key properties of 5-(2-phenylpropyl)-3H-indole?
5-(2-phenylpropyl)-3H-indole has a molecular weight of 235.33 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylpropyl)-3H-indole is sourced from PubChem (CID 58480656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).