2-(4-tert-butylphenyl)-5-methyl-1H-indole

C19H21N — CID 36688009

IUPAC2-(4-tert-butylphenyl)-5-methyl-1H-indole
SMILESCc1ccc2[nH]c(-c3ccc(C(C)(C)C)cc3)cc2c1
InChIInChI=1S/C19H21N/c1-13-5-10-17-15(11-13)12-18(20-17)14-6-8-16(9-7-14)19(2,3)4/h5-12,20H,1-4H3
InChIKeyNWGRDHDVQJHWNV-UHFFFAOYSA-N
MW263.38 g/mol
LogP5.44
Rot. Bonds1

About 2-(4-tert-butylphenyl)-5-methyl-1H-indole

2-(4-tert-butylphenyl)-5-methyl-1H-indole (PubChem CID 36688009) has the molecular formula C19H21N and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-5-methyl-1H-indole.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-5-methyl-1H-indole
PubChem CID36688009
Molecular FormulaC19H21N
Molecular Weight263.38 g/mol
Exact Mass263.17
IUPAC Name2-(4-tert-butylphenyl)-5-methyl-1H-indole
SMILESCc1ccc2[nH]c(-c3ccc(C(C)(C)C)cc3)cc2c1
InChIInChI=1S/C19H21N/c1-13-5-10-17-15(11-13)12-18(20-17)14-6-8-16(9-7-14)19(2,3)4/h5-12,20H,1-4H3
InChIKeyNWGRDHDVQJHWNV-UHFFFAOYSA-N
XLogP5.44
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.38
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-5-methyl-1H-indole?
The IUPAC name of 2-(4-tert-butylphenyl)-5-methyl-1H-indole (CID 36688009) is 2-(4-tert-butylphenyl)-5-methyl-1H-indole.
What is the SMILES notation for 2-(4-tert-butylphenyl)-5-methyl-1H-indole?
The canonical SMILES for 2-(4-tert-butylphenyl)-5-methyl-1H-indole is Cc1ccc2[nH]c(-c3ccc(C(C)(C)C)cc3)cc2c1.
What is the InChIKey of 2-(4-tert-butylphenyl)-5-methyl-1H-indole?
The InChIKey is NWGRDHDVQJHWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N/c1-13-5-10-17-15(11-13)12-18(20-17)14-6-8-16(9-7-14)19(2,3)4/h5-12,20H,1-4H3.
What are the key properties of 2-(4-tert-butylphenyl)-5-methyl-1H-indole?
2-(4-tert-butylphenyl)-5-methyl-1H-indole has a molecular weight of 263.38 g/mol, XLogP of 5.44, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-5-methyl-1H-indole is sourced from PubChem (CID 36688009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).