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

C21H27N — CID 5176220

IUPAC5-tert-butyl-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole
SMILESCC(C)c1ccc(C2Cc3cc(C(C)(C)C)ccc3N2)cc1
InChIInChI=1S/C21H27N/c1-14(2)15-6-8-16(9-7-15)20-13-17-12-18(21(3,4)5)10-11-19(17)22-20/h6-12,14,20,22H,13H2,1-5H3
InChIKeyNKXVKVXCTVQTAI-UHFFFAOYSA-N
MW293.45 g/mol
LogP5.82
Rot. Bonds2

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

5-tert-butyl-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole (PubChem CID 5176220) has the molecular formula C21H27N and a molecular weight of 293.45 g/mol. Its IUPAC name is 5-tert-butyl-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-tert-butyl-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole
PubChem CID5176220
Molecular FormulaC21H27N
Molecular Weight293.45 g/mol
Exact Mass293.21
IUPAC Name5-tert-butyl-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole
SMILESCC(C)c1ccc(C2Cc3cc(C(C)(C)C)ccc3N2)cc1
InChIInChI=1S/C21H27N/c1-14(2)15-6-8-16(9-7-15)20-13-17-12-18(21(3,4)5)10-11-19(17)22-20/h6-12,14,20,22H,13H2,1-5H3
InChIKeyNKXVKVXCTVQTAI-UHFFFAOYSA-N
XLogP5.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.45
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-tert-butyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole
CID 4984250
2-(4-tert-butylphenyl)-6-propan-2-yl-1,2,3,4-tetrahydroquinoline
CID 10807358
5-butan-2-yl-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole
CID 3520254
5-tert-butyl-2-(3,4-dimethylphenyl)-2,3-dihydro-1H-indole
CID 5037732
(2S)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole
CID 7047714
(2R)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole
CID 7047713
5-tert-butyl-2-(3-methylphenyl)-2,3-dihydro-1H-indole
CID 3872880
2-(4-tert-butylphenyl)-5-ethyl-2,3-dihydro-1H-indole
CID 5134941
2-(3-methylphenyl)-5-propan-2-yl-2,3-dihydro-1H-indole
CID 3435203
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-hydroxyphenyl)-2,3-dihydro-1H-indol-5-ol
CID 84691197

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole?
The IUPAC name of 5-tert-butyl-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole (CID 5176220) is 5-tert-butyl-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-tert-butyl-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 5-tert-butyl-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole is CC(C)c1ccc(C2Cc3cc(C(C)(C)C)ccc3N2)cc1.
What is the InChIKey of 5-tert-butyl-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole?
The InChIKey is NKXVKVXCTVQTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N/c1-14(2)15-6-8-16(9-7-15)20-13-17-12-18(21(3,4)5)10-11-19(17)22-20/h6-12,14,20,22H,13H2,1-5H3.
What are the key properties of 5-tert-butyl-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole?
5-tert-butyl-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole has a molecular weight of 293.45 g/mol, XLogP of 5.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 5176220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).