7-methyl-3-(2-phenylpentan-2-yl)-1H-indole

C20H23N — CID 58731174

IUPAC7-methyl-3-(2-phenylpentan-2-yl)-1H-indole
SMILESCCCC(C)(c1ccccc1)c1c[nH]c2c(C)cccc12
InChIInChI=1S/C20H23N/c1-4-13-20(3,16-10-6-5-7-11-16)18-14-21-19-15(2)9-8-12-17(18)19/h5-12,14,21H,4,13H2,1-3H3
InChIKeyCQBUXALHYAWQMI-UHFFFAOYSA-N
MW277.41 g/mol
LogP5.58
Rot. Bonds4

About 7-methyl-3-(2-phenylpentan-2-yl)-1H-indole

7-methyl-3-(2-phenylpentan-2-yl)-1H-indole (PubChem CID 58731174) has the molecular formula C20H23N and a molecular weight of 277.41 g/mol. Its IUPAC name is 7-methyl-3-(2-phenylpentan-2-yl)-1H-indole.

Molecular Properties

Compound Name7-methyl-3-(2-phenylpentan-2-yl)-1H-indole
PubChem CID58731174
Molecular FormulaC20H23N
Molecular Weight277.41 g/mol
Exact Mass277.18
IUPAC Name7-methyl-3-(2-phenylpentan-2-yl)-1H-indole
SMILESCCCC(C)(c1ccccc1)c1c[nH]c2c(C)cccc12
InChIInChI=1S/C20H23N/c1-4-13-20(3,16-10-6-5-7-11-16)18-14-21-19-15(2)9-8-12-17(18)19/h5-12,14,21H,4,13H2,1-3H3
InChIKeyCQBUXALHYAWQMI-UHFFFAOYSA-N
XLogP5.58
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.41
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(2-phenylpentan-2-yl)-1H-indole?
The IUPAC name of 7-methyl-3-(2-phenylpentan-2-yl)-1H-indole (CID 58731174) is 7-methyl-3-(2-phenylpentan-2-yl)-1H-indole.
What is the SMILES notation for 7-methyl-3-(2-phenylpentan-2-yl)-1H-indole?
The canonical SMILES for 7-methyl-3-(2-phenylpentan-2-yl)-1H-indole is CCCC(C)(c1ccccc1)c1c[nH]c2c(C)cccc12.
What is the InChIKey of 7-methyl-3-(2-phenylpentan-2-yl)-1H-indole?
The InChIKey is CQBUXALHYAWQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N/c1-4-13-20(3,16-10-6-5-7-11-16)18-14-21-19-15(2)9-8-12-17(18)19/h5-12,14,21H,4,13H2,1-3H3.
What are the key properties of 7-methyl-3-(2-phenylpentan-2-yl)-1H-indole?
7-methyl-3-(2-phenylpentan-2-yl)-1H-indole has a molecular weight of 277.41 g/mol, XLogP of 5.58, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(2-phenylpentan-2-yl)-1H-indole is sourced from PubChem (CID 58731174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).