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

C20H23N — CID 56986227

IUPAC1-[1-(4-methylphenyl)pentyl]indole
SMILESCCCCC(c1ccc(C)cc1)n1ccc2ccccc21
InChIInChI=1S/C20H23N/c1-3-4-8-19(18-12-10-16(2)11-13-18)21-15-14-17-7-5-6-9-20(17)21/h5-7,9-15,19H,3-4,8H2,1-2H3
InChIKeyDTWMOZGFEAUQSW-UHFFFAOYSA-N
MW277.41 g/mol
LogP5.73
Rot. Bonds5

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

1-[1-(4-methylphenyl)pentyl]indole (PubChem CID 56986227) has the molecular formula C20H23N and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[1-(4-methylphenyl)pentyl]indole.

Molecular Properties

Compound Name1-[1-(4-methylphenyl)pentyl]indole
PubChem CID56986227
Molecular FormulaC20H23N
Molecular Weight277.41 g/mol
Exact Mass277.18
IUPAC Name1-[1-(4-methylphenyl)pentyl]indole
SMILESCCCCC(c1ccc(C)cc1)n1ccc2ccccc21
InChIInChI=1S/C20H23N/c1-3-4-8-19(18-12-10-16(2)11-13-18)21-15-14-17-7-5-6-9-20(17)21/h5-7,9-15,19H,3-4,8H2,1-2H3
InChIKeyDTWMOZGFEAUQSW-UHFFFAOYSA-N
XLogP5.73
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.41
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[1-(4-methylphenyl)pentyl]indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(4-methylphenyl)propyl]indole
CID 141127002
3-[1-[1-(4-methylphenyl)pentyl]indol-5-yl]but-2-enoic acid
CID 54398575
3-indol-1-yl-3-phenylpropan-1-amine
CID 58088429
3-(4-fluorophenyl)-3-indol-1-yl-N-methylpropan-1-amine
CID 58088567
2-indol-1-yldecanal
CID 175134329
1-[(2S)-butan-2-yl]indole
CID 124507288
(E)-1-indol-1-yloct-2-en-1-ol
CID 135051242
1-(benzotriazol-1-yl)-1-indol-1-ylpentan-2-ol
CID 3802975
N-ethyl-3-(5-fluoroindol-1-yl)-3-phenylpropan-1-amine
CID 141126991
1-methyl-4-undecan-6-ylbenzene
CID 54207407
4-methyl-1-(1-phenylpentyl)-4H-pyridine
CID 123709811
1-(1-chlorohexan-2-yl)-4-methylbenzene
CID 79436846

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methylphenyl)pentyl]indole?
The IUPAC name of 1-[1-(4-methylphenyl)pentyl]indole (CID 56986227) is 1-[1-(4-methylphenyl)pentyl]indole.
What is the SMILES notation for 1-[1-(4-methylphenyl)pentyl]indole?
The canonical SMILES for 1-[1-(4-methylphenyl)pentyl]indole is CCCCC(c1ccc(C)cc1)n1ccc2ccccc21.
What is the InChIKey of 1-[1-(4-methylphenyl)pentyl]indole?
The InChIKey is DTWMOZGFEAUQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N/c1-3-4-8-19(18-12-10-16(2)11-13-18)21-15-14-17-7-5-6-9-20(17)21/h5-7,9-15,19H,3-4,8H2,1-2H3.
What are the key properties of 1-[1-(4-methylphenyl)pentyl]indole?
1-[1-(4-methylphenyl)pentyl]indole has a molecular weight of 277.41 g/mol, XLogP of 5.73, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methylphenyl)pentyl]indole is sourced from PubChem (CID 56986227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).