5-(2,3,4,5,6-pentamethylphenyl)-2,3-dihydro-1H-indole

C19H23N — CID 63424136

IUPAC5-(2,3,4,5,6-pentamethylphenyl)-2,3-dihydro-1H-indole
SMILESCc1c(C)c(C)c(-c2ccc3c(c2)CCN3)c(C)c1C
InChIInChI=1S/C19H23N/c1-11-12(2)14(4)19(15(5)13(11)3)17-6-7-18-16(10-17)8-9-20-18/h6-7,10,20H,8-9H2,1-5H3
InChIKeyNSMQTISOFJFKKU-UHFFFAOYSA-N
MW265.40 g/mol
LogP4.86
Rot. Bonds1

About 5-(2,3,4,5,6-pentamethylphenyl)-2,3-dihydro-1H-indole

5-(2,3,4,5,6-pentamethylphenyl)-2,3-dihydro-1H-indole (PubChem CID 63424136) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is 5-(2,3,4,5,6-pentamethylphenyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-(2,3,4,5,6-pentamethylphenyl)-2,3-dihydro-1H-indole
PubChem CID63424136
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC Name5-(2,3,4,5,6-pentamethylphenyl)-2,3-dihydro-1H-indole
SMILESCc1c(C)c(C)c(-c2ccc3c(c2)CCN3)c(C)c1C
InChIInChI=1S/C19H23N/c1-11-12(2)14(4)19(15(5)13(11)3)17-6-7-18-16(10-17)8-9-20-18/h6-7,10,20H,8-9H2,1-5H3
InChIKeyNSMQTISOFJFKKU-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-(2,3,4,5,6-pentamethylphenyl)-1,2,3,4-tetrahydroquinoline
CID 63424137
5-(4-fluoro-2,6-dimethylphenyl)-2,3-dihydro-1H-indole
CID 106878936
5-(5,6,7,8-tetrahydronaphthalen-2-yl)-2,3-dihydro-1H-indole
CID 63424177
5-(2-methylthiophen-3-yl)-2,3-dihydro-1H-indole
CID 102834212
5-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-indole
CID 62502645
2-(2,3-dihydro-1H-indol-5-yl)-4,5-dimethyl-1,3-thiazole
CID 82474601
5-bromo-2-(2,3-dihydro-1H-indol-5-yl)-1-methylbenzimidazole
CID 60784272
3-(2,3-dihydro-1H-indol-5-yl)-N-methylaniline
CID 116998160
3-(2,3-dihydro-1H-indol-5-yl)-1H-indol-2-ol
CID 57128043
6-(4,6-dimethylpyrimidin-5-yl)-2,3-dihydro-1H-indole
CID 59435381
3-(2,3-dihydro-1H-indol-5-yl)-4-methyl-5,6-dihydro-1-benzazocine
CID 91561975
5-(4-propoxyphenyl)-2,3-dihydro-1H-indole
CID 62800943

Frequently Asked Questions

What is the IUPAC name of 5-(2,3,4,5,6-pentamethylphenyl)-2,3-dihydro-1H-indole?
The IUPAC name of 5-(2,3,4,5,6-pentamethylphenyl)-2,3-dihydro-1H-indole (CID 63424136) is 5-(2,3,4,5,6-pentamethylphenyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-(2,3,4,5,6-pentamethylphenyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 5-(2,3,4,5,6-pentamethylphenyl)-2,3-dihydro-1H-indole is Cc1c(C)c(C)c(-c2ccc3c(c2)CCN3)c(C)c1C.
What is the InChIKey of 5-(2,3,4,5,6-pentamethylphenyl)-2,3-dihydro-1H-indole?
The InChIKey is NSMQTISOFJFKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N/c1-11-12(2)14(4)19(15(5)13(11)3)17-6-7-18-16(10-17)8-9-20-18/h6-7,10,20H,8-9H2,1-5H3.
What are the key properties of 5-(2,3,4,5,6-pentamethylphenyl)-2,3-dihydro-1H-indole?
5-(2,3,4,5,6-pentamethylphenyl)-2,3-dihydro-1H-indole has a molecular weight of 265.40 g/mol, XLogP of 4.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3,4,5,6-pentamethylphenyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 63424136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).