1-[1-(4-methylphenyl)propyl]indole

C18H19N — CID 141127002

IUPAC1-[1-(4-methylphenyl)propyl]indole
SMILESCCC(c1ccc(C)cc1)n1ccc2ccccc21
InChIInChI=1S/C18H19N/c1-3-17(16-10-8-14(2)9-11-16)19-13-12-15-6-4-5-7-18(15)19/h4-13,17H,3H2,1-2H3
InChIKeyQOSXNENKUYXURY-UHFFFAOYSA-N
MW249.36 g/mol
LogP4.95
Rot. Bonds3

About 1-[1-(4-methylphenyl)propyl]indole

1-[1-(4-methylphenyl)propyl]indole (PubChem CID 141127002) has the molecular formula C18H19N and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-[1-(4-methylphenyl)propyl]indole.

Molecular Properties

Compound Name1-[1-(4-methylphenyl)propyl]indole
PubChem CID141127002
Molecular FormulaC18H19N
Molecular Weight249.36 g/mol
Exact Mass249.15
IUPAC Name1-[1-(4-methylphenyl)propyl]indole
SMILESCCC(c1ccc(C)cc1)n1ccc2ccccc21
InChIInChI=1S/C18H19N/c1-3-17(16-10-8-14(2)9-11-16)19-13-12-15-6-4-5-7-18(15)19/h4-13,17H,3H2,1-2H3
InChIKeyQOSXNENKUYXURY-UHFFFAOYSA-N
XLogP4.95
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methylphenyl)propyl]indole?
The IUPAC name of 1-[1-(4-methylphenyl)propyl]indole (CID 141127002) is 1-[1-(4-methylphenyl)propyl]indole.
What is the SMILES notation for 1-[1-(4-methylphenyl)propyl]indole?
The canonical SMILES for 1-[1-(4-methylphenyl)propyl]indole is CCC(c1ccc(C)cc1)n1ccc2ccccc21.
What is the InChIKey of 1-[1-(4-methylphenyl)propyl]indole?
The InChIKey is QOSXNENKUYXURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N/c1-3-17(16-10-8-14(2)9-11-16)19-13-12-15-6-4-5-7-18(15)19/h4-13,17H,3H2,1-2H3.
What are the key properties of 1-[1-(4-methylphenyl)propyl]indole?
1-[1-(4-methylphenyl)propyl]indole has a molecular weight of 249.36 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methylphenyl)propyl]indole is sourced from PubChem (CID 141127002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).