1-methyl-3-pentyl-2-phenylindole

C20H23N — CID 102287854

IUPAC1-methyl-3-pentyl-2-phenylindole
SMILESCCCCCc1c(-c2ccccc2)n(C)c2ccccc12
InChIInChI=1S/C20H23N/c1-3-4-6-14-18-17-13-9-10-15-19(17)21(2)20(18)16-11-7-5-8-12-16/h5,7-13,15H,3-4,6,14H2,1-2H3
InChIKeyZKBSBZAJEJSZNN-UHFFFAOYSA-N
MW277.41 g/mol
LogP5.58
Rot. Bonds5

About 1-methyl-3-pentyl-2-phenylindole

1-methyl-3-pentyl-2-phenylindole (PubChem CID 102287854) has the molecular formula C20H23N and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-methyl-3-pentyl-2-phenylindole.

Molecular Properties

Compound Name1-methyl-3-pentyl-2-phenylindole
PubChem CID102287854
Molecular FormulaC20H23N
Molecular Weight277.41 g/mol
Exact Mass277.18
IUPAC Name1-methyl-3-pentyl-2-phenylindole
SMILESCCCCCc1c(-c2ccccc2)n(C)c2ccccc12
InChIInChI=1S/C20H23N/c1-3-4-6-14-18-17-13-9-10-15-19(17)21(2)20(18)16-11-7-5-8-12-16/h5,7-13,15H,3-4,6,14H2,1-2H3
InChIKeyZKBSBZAJEJSZNN-UHFFFAOYSA-N
XLogP5.58
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 ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,3-dimethyl-2-tridecylindole
CID 122371242
2-[6-(1-methyl-2-pyridin-3-ylindol-3-yl)hexyl]propanedioic acid
CID 54024665
1-methyl-2,3-diphenylindole
CID 11426096
4-hydroxy-1-methyl-3-nonylquinolin-2-one
CID 54687613
1-butyl-2-phenylindole-3-carbaldehyde;1-methyl-2-phenylindole-3-carbaldehyde
CID 174681099
1-methyl-3-(2-nitropropyl)-2-phenylindole
CID 178074863
1-heptyl-3,4-dimethyl-2-(1-methyl-2-phenylindol-3-yl)-2H-pyrrol-5-one
CID 3894466
1-methyl-2-phenylindole-3-carboxylic acid
CID 8899719
2-heptadecyl-1-methylquinolin-4-one
CID 53316624
1-[3,5-bis(2,3,4-trihexyl-5-phenylpyrrol-1-yl)phenyl]-2,3,4-trihexyl-5-phenylpyrrole
CID 58130483
1-methyl-2-undecylquinolin-4-one
CID 5319811
4-(3-benzyl-1-methylindol-2-yl)benzonitrile
CID 102600106

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-pentyl-2-phenylindole?
The IUPAC name of 1-methyl-3-pentyl-2-phenylindole (CID 102287854) is 1-methyl-3-pentyl-2-phenylindole.
What is the SMILES notation for 1-methyl-3-pentyl-2-phenylindole?
The canonical SMILES for 1-methyl-3-pentyl-2-phenylindole is CCCCCc1c(-c2ccccc2)n(C)c2ccccc12.
What is the InChIKey of 1-methyl-3-pentyl-2-phenylindole?
The InChIKey is ZKBSBZAJEJSZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N/c1-3-4-6-14-18-17-13-9-10-15-19(17)21(2)20(18)16-11-7-5-8-12-16/h5,7-13,15H,3-4,6,14H2,1-2H3.
What are the key properties of 1-methyl-3-pentyl-2-phenylindole?
1-methyl-3-pentyl-2-phenylindole has a molecular weight of 277.41 g/mol, XLogP of 5.58, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-pentyl-2-phenylindole is sourced from PubChem (CID 102287854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).