6-(3,3-dimethyl-2H-1-benzofuran-5-yl)-2,3-dihydro-1H-indole

C18H19NO — CID 107293887

IUPAC6-(3,3-dimethyl-2H-1-benzofuran-5-yl)-2,3-dihydro-1H-indole
SMILESCC1(C)COc2ccc(-c3ccc4c(c3)NCC4)cc21
InChIInChI=1S/C18H19NO/c1-18(2)11-20-17-6-5-13(9-15(17)18)14-4-3-12-7-8-19-16(12)10-14/h3-6,9-10,19H,7-8,11H2,1-2H3
InChIKeyWVPFGTAKLNYETC-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.99
Rot. Bonds1

About 6-(3,3-dimethyl-2H-1-benzofuran-5-yl)-2,3-dihydro-1H-indole

6-(3,3-dimethyl-2H-1-benzofuran-5-yl)-2,3-dihydro-1H-indole (PubChem CID 107293887) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 6-(3,3-dimethyl-2H-1-benzofuran-5-yl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name6-(3,3-dimethyl-2H-1-benzofuran-5-yl)-2,3-dihydro-1H-indole
PubChem CID107293887
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name6-(3,3-dimethyl-2H-1-benzofuran-5-yl)-2,3-dihydro-1H-indole
SMILESCC1(C)COc2ccc(-c3ccc4c(c3)NCC4)cc21
InChIInChI=1S/C18H19NO/c1-18(2)11-20-17-6-5-13(9-15(17)18)14-4-3-12-7-8-19-16(12)10-14/h3-6,9-10,19H,7-8,11H2,1-2H3
InChIKeyWVPFGTAKLNYETC-UHFFFAOYSA-N
XLogP3.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-indole
CID 116698435
4-(3,3-dimethyl-2H-1-benzofuran-5-yl)-2-fluoroaniline
CID 107293917
6-(3,4-diethylphenyl)-2,3-dihydro-1H-indole
CID 116698615
[5-(3,3-dimethyl-2H-1-benzofuran-5-yl)furan-2-yl]methanamine
CID 107293956
6-(3,3-dimethyl-2H-1-benzofuran-5-yl)pyridin-2-amine
CID 107293891
1-[5-(3,3-dimethyl-2H-1-benzofuran-5-yl)furan-2-yl]-N-methylmethanamine
CID 107293985
4-(3,3-dimethyl-2H-1-benzofuran-5-yl)-2,5-dihydropyridine
CID 126512302
4-(3,3-dimethyl-2H-1-benzofuran-5-yl)piperidine
CID 82390529
6-(4,6-dimethylpyrimidin-5-yl)-2,3-dihydro-1H-indole
CID 59435381
3,3-dimethyl-2H-1-benzofuran-5-carbaldehyde
CID 20536180
(5Z)-5-[[6-(3,3-dimethyl-2H-1-benzofuran-5-yl)naphthalen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 58765606
2-chloro-6-(3,3-dimethyl-2H-1-benzofuran-5-yl)-4-fluoroaniline
CID 107616286

Frequently Asked Questions

What is the IUPAC name of 6-(3,3-dimethyl-2H-1-benzofuran-5-yl)-2,3-dihydro-1H-indole?
The IUPAC name of 6-(3,3-dimethyl-2H-1-benzofuran-5-yl)-2,3-dihydro-1H-indole (CID 107293887) is 6-(3,3-dimethyl-2H-1-benzofuran-5-yl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 6-(3,3-dimethyl-2H-1-benzofuran-5-yl)-2,3-dihydro-1H-indole?
The canonical SMILES for 6-(3,3-dimethyl-2H-1-benzofuran-5-yl)-2,3-dihydro-1H-indole is CC1(C)COc2ccc(-c3ccc4c(c3)NCC4)cc21.
What is the InChIKey of 6-(3,3-dimethyl-2H-1-benzofuran-5-yl)-2,3-dihydro-1H-indole?
The InChIKey is WVPFGTAKLNYETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-18(2)11-20-17-6-5-13(9-15(17)18)14-4-3-12-7-8-19-16(12)10-14/h3-6,9-10,19H,7-8,11H2,1-2H3.
What are the key properties of 6-(3,3-dimethyl-2H-1-benzofuran-5-yl)-2,3-dihydro-1H-indole?
6-(3,3-dimethyl-2H-1-benzofuran-5-yl)-2,3-dihydro-1H-indole has a molecular weight of 265.36 g/mol, XLogP of 3.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-dimethyl-2H-1-benzofuran-5-yl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 107293887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).