2-(4-tert-butylphenyl)-5-ethyl-2,3-dihydro-1H-indole

C20H25N — CID 5134941

IUPAC2-(4-tert-butylphenyl)-5-ethyl-2,3-dihydro-1H-indole
SMILESCCc1ccc2c(c1)CC(c1ccc(C(C)(C)C)cc1)N2
InChIInChI=1S/C20H25N/c1-5-14-6-11-18-16(12-14)13-19(21-18)15-7-9-17(10-8-15)20(2,3)4/h6-12,19,21H,5,13H2,1-4H3
InChIKeyPIQGXZNVCCAIAQ-UHFFFAOYSA-N
MW279.43 g/mol
LogP5.26
Rot. Bonds2

About 2-(4-tert-butylphenyl)-5-ethyl-2,3-dihydro-1H-indole

2-(4-tert-butylphenyl)-5-ethyl-2,3-dihydro-1H-indole (PubChem CID 5134941) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-5-ethyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-5-ethyl-2,3-dihydro-1H-indole
PubChem CID5134941
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Name2-(4-tert-butylphenyl)-5-ethyl-2,3-dihydro-1H-indole
SMILESCCc1ccc2c(c1)CC(c1ccc(C(C)(C)C)cc1)N2
InChIInChI=1S/C20H25N/c1-5-14-6-11-18-16(12-14)13-19(21-18)15-7-9-17(10-8-15)20(2,3)4/h6-12,19,21H,5,13H2,1-4H3
InChIKeyPIQGXZNVCCAIAQ-UHFFFAOYSA-N
XLogP5.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.43
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(4-tert-butylphenyl)-5-ethyl-2,3-dihydro-1H-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

5-tert-butyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole
CID 4984250
5-tert-butyl-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole
CID 5176220
2-(4-ethylphenyl)-2,3-dihydro-1H-indole
CID 3934310
5-tert-butyl-2-(3,4-dimethylphenyl)-2,3-dihydro-1H-indole
CID 5037732
5-ethyl-2-methyl-2,3-dihydro-1H-indole
CID 70571795
2-tert-butyl-6-ethyl-1,2,3,4-tetrahydroquinolin-3-ol
CID 165488028
5-ethyl-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole
CID 5136391
2-(4-ethoxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 4657850
5-tert-butyl-2-(3-methylphenyl)-2,3-dihydro-1H-indole
CID 3872880
5-ethyl-2-(1-fluoroethyl)-2,3-dihydro-1H-indole
CID 84664966
2-(4-hydroxyphenyl)-2,3-dihydro-1H-indol-5-ol
CID 84691197
2-(4-tert-butylphenyl)-6-propan-2-yl-1,2,3,4-tetrahydroquinoline
CID 10807358

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-5-ethyl-2,3-dihydro-1H-indole?
The IUPAC name of 2-(4-tert-butylphenyl)-5-ethyl-2,3-dihydro-1H-indole (CID 5134941) is 2-(4-tert-butylphenyl)-5-ethyl-2,3-dihydro-1H-indole.
What is the SMILES notation for 2-(4-tert-butylphenyl)-5-ethyl-2,3-dihydro-1H-indole?
The canonical SMILES for 2-(4-tert-butylphenyl)-5-ethyl-2,3-dihydro-1H-indole is CCc1ccc2c(c1)CC(c1ccc(C(C)(C)C)cc1)N2.
What is the InChIKey of 2-(4-tert-butylphenyl)-5-ethyl-2,3-dihydro-1H-indole?
The InChIKey is PIQGXZNVCCAIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-5-14-6-11-18-16(12-14)13-19(21-18)15-7-9-17(10-8-15)20(2,3)4/h6-12,19,21H,5,13H2,1-4H3.
What are the key properties of 2-(4-tert-butylphenyl)-5-ethyl-2,3-dihydro-1H-indole?
2-(4-tert-butylphenyl)-5-ethyl-2,3-dihydro-1H-indole has a molecular weight of 279.43 g/mol, XLogP of 5.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-5-ethyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 5134941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).