5-(2-methoxy-2-phenylethyl)-3,3-dimethyl-1,2-dihydroindole

C19H23NO — CID 70602445

IUPAC5-(2-methoxy-2-phenylethyl)-3,3-dimethyl-1,2-dihydroindole
SMILESCOC(Cc1ccc2c(c1)C(C)(C)CN2)c1ccccc1
InChIInChI=1S/C19H23NO/c1-19(2)13-20-17-10-9-14(11-16(17)19)12-18(21-3)15-7-5-4-6-8-15/h4-11,18,20H,12-13H2,1-3H3
InChIKeyKFLLIMAYFAQAPE-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.32
Rot. Bonds4

About 5-(2-methoxy-2-phenylethyl)-3,3-dimethyl-1,2-dihydroindole

5-(2-methoxy-2-phenylethyl)-3,3-dimethyl-1,2-dihydroindole (PubChem CID 70602445) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 5-(2-methoxy-2-phenylethyl)-3,3-dimethyl-1,2-dihydroindole.

Molecular Properties

Compound Name5-(2-methoxy-2-phenylethyl)-3,3-dimethyl-1,2-dihydroindole
PubChem CID70602445
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name5-(2-methoxy-2-phenylethyl)-3,3-dimethyl-1,2-dihydroindole
SMILESCOC(Cc1ccc2c(c1)C(C)(C)CN2)c1ccccc1
InChIInChI=1S/C19H23NO/c1-19(2)13-20-17-10-9-14(11-16(17)19)12-18(21-3)15-7-5-4-6-8-15/h4-11,18,20H,12-13H2,1-3H3
InChIKeyKFLLIMAYFAQAPE-UHFFFAOYSA-N
XLogP4.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-2-phenylethyl)-3,3-dimethyl-1,2-dihydroindole?
The IUPAC name of 5-(2-methoxy-2-phenylethyl)-3,3-dimethyl-1,2-dihydroindole (CID 70602445) is 5-(2-methoxy-2-phenylethyl)-3,3-dimethyl-1,2-dihydroindole.
What is the SMILES notation for 5-(2-methoxy-2-phenylethyl)-3,3-dimethyl-1,2-dihydroindole?
The canonical SMILES for 5-(2-methoxy-2-phenylethyl)-3,3-dimethyl-1,2-dihydroindole is COC(Cc1ccc2c(c1)C(C)(C)CN2)c1ccccc1.
What is the InChIKey of 5-(2-methoxy-2-phenylethyl)-3,3-dimethyl-1,2-dihydroindole?
The InChIKey is KFLLIMAYFAQAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-19(2)13-20-17-10-9-14(11-16(17)19)12-18(21-3)15-7-5-4-6-8-15/h4-11,18,20H,12-13H2,1-3H3.
What are the key properties of 5-(2-methoxy-2-phenylethyl)-3,3-dimethyl-1,2-dihydroindole?
5-(2-methoxy-2-phenylethyl)-3,3-dimethyl-1,2-dihydroindole has a molecular weight of 281.40 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-2-phenylethyl)-3,3-dimethyl-1,2-dihydroindole is sourced from PubChem (CID 70602445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).