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

C20H25N — CID 5037732

IUPAC5-tert-butyl-2-(3,4-dimethylphenyl)-2,3-dihydro-1H-indole
SMILESCc1ccc(C2Cc3cc(C(C)(C)C)ccc3N2)cc1C
InChIInChI=1S/C20H25N/c1-13-6-7-15(10-14(13)2)19-12-16-11-17(20(3,4)5)8-9-18(16)21-19/h6-11,19,21H,12H2,1-5H3
InChIKeyMIBZEXQAELMOKG-UHFFFAOYSA-N
MW279.43 g/mol
LogP5.31
Rot. Bonds1

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

5-tert-butyl-2-(3,4-dimethylphenyl)-2,3-dihydro-1H-indole (PubChem CID 5037732) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is 5-tert-butyl-2-(3,4-dimethylphenyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-tert-butyl-2-(3,4-dimethylphenyl)-2,3-dihydro-1H-indole
PubChem CID5037732
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Name5-tert-butyl-2-(3,4-dimethylphenyl)-2,3-dihydro-1H-indole
SMILESCc1ccc(C2Cc3cc(C(C)(C)C)ccc3N2)cc1C
InChIInChI=1S/C20H25N/c1-13-6-7-15(10-14(13)2)19-12-16-11-17(20(3,4)5)8-9-18(16)21-19/h6-11,19,21H,12H2,1-5H3
InChIKeyMIBZEXQAELMOKG-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

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Related Compounds

5-tert-butyl-2-(3-methylphenyl)-2,3-dihydro-1H-indole
CID 3872880
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
5-tert-butyl-2-(5-methylthiophen-2-yl)-2,3-dihydro-1H-indole
CID 3533032
5-tert-butyl-2-(2,4-dimethylphenyl)-2,3-dihydro-1H-indole
CID 3879014
2-(4-tert-butylphenyl)-5-ethyl-2,3-dihydro-1H-indole
CID 5134941
2-(3,4-difluorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 5187034
2-(3-fluoro-4-methoxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 3910752
5-tert-butyl-2-(2,5-difluorophenyl)-2,3-dihydro-1H-indole
CID 3893012
2-(3,4-dimethylphenyl)-7-methyl-2,3-dihydro-1H-indole
CID 3984068
2-(4-ethoxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 4657850
2-(3,4-dimethylphenyl)-4,7-dimethyl-2,3-dihydro-1H-indole
CID 3613734

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(3,4-dimethylphenyl)-2,3-dihydro-1H-indole?
The IUPAC name of 5-tert-butyl-2-(3,4-dimethylphenyl)-2,3-dihydro-1H-indole (CID 5037732) is 5-tert-butyl-2-(3,4-dimethylphenyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-tert-butyl-2-(3,4-dimethylphenyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 5-tert-butyl-2-(3,4-dimethylphenyl)-2,3-dihydro-1H-indole is Cc1ccc(C2Cc3cc(C(C)(C)C)ccc3N2)cc1C.
What is the InChIKey of 5-tert-butyl-2-(3,4-dimethylphenyl)-2,3-dihydro-1H-indole?
The InChIKey is MIBZEXQAELMOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-13-6-7-15(10-14(13)2)19-12-16-11-17(20(3,4)5)8-9-18(16)21-19/h6-11,19,21H,12H2,1-5H3.
What are the key properties of 5-tert-butyl-2-(3,4-dimethylphenyl)-2,3-dihydro-1H-indole?
5-tert-butyl-2-(3,4-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-(3,4-dimethylphenyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 5037732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).