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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Related Compounds

(4aS,5R,10bS)-9-tert-butyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 11163025
(3aS,4R,9bS)-4-cyclohexyl-8-pentyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
CID 71655612
(4aS,10bS)-9-tert-butyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 46881714
Benzyl 1,2-dihydrospiro[indole-3,4'-piperidine]-1'-carboxylate
CID 10914256
4-Ethoxy-3,3-dimethyl-2-phenyl-1,2,3,4-tetrahydroquinoline
CID 2892952
(3aS,4S,9bS)-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
CID 6542563
4-Phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
CID 2942312
ethyl 3-(2,3-dihydro-1H-indol-5-yl)benzoate
CID 162653089
benzyl N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]carbamate
CID 394107
(2S,4R)-2-(4-fluorophenyl)-4',4',6-trimethylspiro[2,3-dihydro-1H-quinoline-4,2'-oxolane]
CID 135022912
(3aR,4S,9bR)-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
CID 1316738
rel-(3aR,4R,9bR)-2,3,3a,4,5,9b-Hexahydro-4-phenylfuro(3,2-c)quinoline
CID 7066515

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).