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

C18H21N — CID 116698615

IUPAC6-(3,4-diethylphenyl)-2,3-dihydro-1H-indole
SMILESCCc1ccc(-c2ccc3c(c2)NCC3)cc1CC
InChIInChI=1S/C18H21N/c1-3-13-5-7-16(11-14(13)4-2)17-8-6-15-9-10-19-18(15)12-17/h5-8,11-12,19H,3-4,9-10H2,1-2H3
InChIKeyJWRBIRVAUMCRFH-UHFFFAOYSA-N
MW251.37 g/mol
LogP4.45
Rot. Bonds3

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

6-(3,4-diethylphenyl)-2,3-dihydro-1H-indole (PubChem CID 116698615) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 6-(3,4-diethylphenyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name6-(3,4-diethylphenyl)-2,3-dihydro-1H-indole
PubChem CID116698615
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name6-(3,4-diethylphenyl)-2,3-dihydro-1H-indole
SMILESCCc1ccc(-c2ccc3c(c2)NCC3)cc1CC
InChIInChI=1S/C18H21N/c1-3-13-5-7-16(11-14(13)4-2)17-8-6-15-9-10-19-18(15)12-17/h5-8,11-12,19H,3-4,9-10H2,1-2H3
InChIKeyJWRBIRVAUMCRFH-UHFFFAOYSA-N
XLogP4.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-(3-ethyl-1-methylpyrazol-4-yl)-2,3-dihydro-1H-indole
CID 116698590
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-indole
CID 116698435
6-(4,6-dimethylpyrimidin-5-yl)-2,3-dihydro-1H-indole
CID 59435381
6-(3-propyltriazol-4-yl)-2,3-dihydro-1H-indole
CID 114689642
6-(3,3-dimethyl-2H-1-benzofuran-5-yl)-2,3-dihydro-1H-indole
CID 107293887
1-(2,3-dihydro-1H-indol-6-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 116611973
6-(5-fluoro-2-methylphenyl)-2,3-dihydro-1H-indole
CID 116698427
6-(2,4,6-trimethoxyphenyl)-2,3-dihydro-1H-indole
CID 116698533
N,N-dimethyl-2,3-dihydro-1H-indole-6-sulfonamide
CID 10376417
1-[4-(2,3-dihydro-1H-indol-6-yl)phenyl]piperidin-2-one
CID 174474296
6-bromo-2,3-dihydro-1H-indole
CID 13098379
6-(2,5-difluorophenyl)-2,3-dihydro-1H-indole
CID 116698446

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-diethylphenyl)-2,3-dihydro-1H-indole?
The IUPAC name of 6-(3,4-diethylphenyl)-2,3-dihydro-1H-indole (CID 116698615) is 6-(3,4-diethylphenyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 6-(3,4-diethylphenyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 6-(3,4-diethylphenyl)-2,3-dihydro-1H-indole is CCc1ccc(-c2ccc3c(c2)NCC3)cc1CC.
What is the InChIKey of 6-(3,4-diethylphenyl)-2,3-dihydro-1H-indole?
The InChIKey is JWRBIRVAUMCRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-3-13-5-7-16(11-14(13)4-2)17-8-6-15-9-10-19-18(15)12-17/h5-8,11-12,19H,3-4,9-10H2,1-2H3.
What are the key properties of 6-(3,4-diethylphenyl)-2,3-dihydro-1H-indole?
6-(3,4-diethylphenyl)-2,3-dihydro-1H-indole has a molecular weight of 251.37 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-diethylphenyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 116698615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).