4-(2,4,6-triethylphenyl)-2,3-dihydro-1H-indole

C20H25N — CID 116698620

IUPAC4-(2,4,6-triethylphenyl)-2,3-dihydro-1H-indole
SMILESCCc1cc(CC)c(-c2cccc3c2CCN3)c(CC)c1
InChIInChI=1S/C20H25N/c1-4-14-12-15(5-2)20(16(6-3)13-14)18-8-7-9-19-17(18)10-11-21-19/h7-9,12-13,21H,4-6,10-11H2,1-3H3
InChIKeySCMLUBLJVYCPEY-UHFFFAOYSA-N
MW279.43 g/mol
LogP5.01
Rot. Bonds4

About 4-(2,4,6-triethylphenyl)-2,3-dihydro-1H-indole

4-(2,4,6-triethylphenyl)-2,3-dihydro-1H-indole (PubChem CID 116698620) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is 4-(2,4,6-triethylphenyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name4-(2,4,6-triethylphenyl)-2,3-dihydro-1H-indole
PubChem CID116698620
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Name4-(2,4,6-triethylphenyl)-2,3-dihydro-1H-indole
SMILESCCc1cc(CC)c(-c2cccc3c2CCN3)c(CC)c1
InChIInChI=1S/C20H25N/c1-4-14-12-15(5-2)20(16(6-3)13-14)18-8-7-9-19-17(18)10-11-21-19/h7-9,12-13,21H,4-6,10-11H2,1-3H3
InChIKeySCMLUBLJVYCPEY-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.43
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,3,5-triethyl-2-[2-iodo-3-(2,4,6-triethylphenyl)phenyl]benzene
CID 163342457
1-(2,4,6-triethylphenyl)-4-[4-(2,4,6-triethylphenyl)naphthalen-1-yl]naphthalene
CID 102266833
4-(3-chloro-5-fluorophenyl)-2,3-dihydro-1H-indole
CID 116698400
4-(3-fluoro-4-methylphenyl)-2,3-dihydro-1H-indole
CID 116698397
4-naphthalen-2-yl-2,3-dihydro-1H-indole
CID 116698319
4-(2,5-dichloro-4-methoxyphenyl)-2,3-dihydro-1H-indole
CID 116698622
4-(6-methyl-3-pyridinyl)-2,3-dihydro-1H-indole
CID 116698343
4-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-indole
CID 116698328
2-(2,3-dihydro-1H-indol-4-yl)ethanethiol
CID 167181499
1,3-diethylanthracene-9,10-dione
CID 22321054
chloromethane;9-ethyl-2,3-dihydro-1H-benzo[e]indol-5-ol
CID 143754973
4-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1H-indole
CID 116698337

Frequently Asked Questions

What is the IUPAC name of 4-(2,4,6-triethylphenyl)-2,3-dihydro-1H-indole?
The IUPAC name of 4-(2,4,6-triethylphenyl)-2,3-dihydro-1H-indole (CID 116698620) is 4-(2,4,6-triethylphenyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 4-(2,4,6-triethylphenyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 4-(2,4,6-triethylphenyl)-2,3-dihydro-1H-indole is CCc1cc(CC)c(-c2cccc3c2CCN3)c(CC)c1.
What is the InChIKey of 4-(2,4,6-triethylphenyl)-2,3-dihydro-1H-indole?
The InChIKey is SCMLUBLJVYCPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-4-14-12-15(5-2)20(16(6-3)13-14)18-8-7-9-19-17(18)10-11-21-19/h7-9,12-13,21H,4-6,10-11H2,1-3H3.
What are the key properties of 4-(2,4,6-triethylphenyl)-2,3-dihydro-1H-indole?
4-(2,4,6-triethylphenyl)-2,3-dihydro-1H-indole has a molecular weight of 279.43 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4,6-triethylphenyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 116698620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).