5-tert-butyl-2-(2,4-dimethylphenyl)-2,3-dihydro-1H-indole

C20H25N — CID 3879014

IUPAC5-tert-butyl-2-(2,4-dimethylphenyl)-2,3-dihydro-1H-indole
SMILESCc1ccc(C2Cc3cc(C(C)(C)C)ccc3N2)c(C)c1
InChIInChI=1S/C20H25N/c1-13-6-8-17(14(2)10-13)19-12-15-11-16(20(3,4)5)7-9-18(15)21-19/h6-11,19,21H,12H2,1-5H3
InChIKeyBMWJKZMYPXHXRM-UHFFFAOYSA-N
MW279.43 g/mol
LogP5.31
Rot. Bonds1

About 5-tert-butyl-2-(2,4-dimethylphenyl)-2,3-dihydro-1H-indole

5-tert-butyl-2-(2,4-dimethylphenyl)-2,3-dihydro-1H-indole (PubChem CID 3879014) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is 5-tert-butyl-2-(2,4-dimethylphenyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-tert-butyl-2-(2,4-dimethylphenyl)-2,3-dihydro-1H-indole
PubChem CID3879014
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Name5-tert-butyl-2-(2,4-dimethylphenyl)-2,3-dihydro-1H-indole
SMILESCc1ccc(C2Cc3cc(C(C)(C)C)ccc3N2)c(C)c1
InChIInChI=1S/C20H25N/c1-13-6-8-17(14(2)10-13)19-12-15-11-16(20(3,4)5)7-9-18(15)21-19/h6-11,19,21H,12H2,1-5H3
InChIKeyBMWJKZMYPXHXRM-UHFFFAOYSA-N
XLogP5.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.43
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-tert-butyl-2-(2,4-dimethylphenyl)-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-(3-methylphenyl)-2,3-dihydro-1H-indole
CID 3872880
2-(2,4-dimethylphenyl)-5-methoxy-2,3-dihydro-1H-indole
CID 4046261
5-tert-butyl-2-(3,4-dimethylphenyl)-2,3-dihydro-1H-indole
CID 5037732
5-tert-butyl-2-(2,5-difluorophenyl)-2,3-dihydro-1H-indole
CID 3893012
5-tert-butyl-2-(5-methylthiophen-2-yl)-2,3-dihydro-1H-indole
CID 3533032
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-(2-methylphenyl)-5-phenyl-2,3-dihydro-1H-indole
CID 4592360
2-(4-tert-butylphenyl)-5-ethyl-2,3-dihydro-1H-indole
CID 5134941
5-ethoxy-2-(2-methylphenyl)-2,3-dihydro-1H-indole
CID 4656228
3-tert-butyl-7-methylbicyclo[4.2.0]octa-1(6),2,4-triene
CID 157184416
5-ethoxy-2-(2-methoxy-5-methylphenyl)-2,3-dihydro-1H-indole
CID 4271065

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(2,4-dimethylphenyl)-2,3-dihydro-1H-indole?
The IUPAC name of 5-tert-butyl-2-(2,4-dimethylphenyl)-2,3-dihydro-1H-indole (CID 3879014) is 5-tert-butyl-2-(2,4-dimethylphenyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-tert-butyl-2-(2,4-dimethylphenyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 5-tert-butyl-2-(2,4-dimethylphenyl)-2,3-dihydro-1H-indole is Cc1ccc(C2Cc3cc(C(C)(C)C)ccc3N2)c(C)c1.
What is the InChIKey of 5-tert-butyl-2-(2,4-dimethylphenyl)-2,3-dihydro-1H-indole?
The InChIKey is BMWJKZMYPXHXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-13-6-8-17(14(2)10-13)19-12-15-11-16(20(3,4)5)7-9-18(15)21-19/h6-11,19,21H,12H2,1-5H3.
What are the key properties of 5-tert-butyl-2-(2,4-dimethylphenyl)-2,3-dihydro-1H-indole?
5-tert-butyl-2-(2,4-dimethylphenyl)-2,3-dihydro-1H-indole has a molecular weight of 279.43 g/mol, XLogP of 5.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-(2,4-dimethylphenyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 3879014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).