2-(2-methoxyphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine

C15H21NO — CID 10308007

IUPAC2-(2-methoxyphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESCOc1ccccc1C1CC2CCCCN2C1
InChIInChI=1S/C15H21NO/c1-17-15-8-3-2-7-14(15)12-10-13-6-4-5-9-16(13)11-12/h2-3,7-8,12-13H,4-6,9-11H2,1H3
InChIKeyCKQLDESBQIPEMG-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.04
Rot. Bonds2

About 2-(2-methoxyphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine

2-(2-methoxyphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine (PubChem CID 10308007) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine
PubChem CID10308007
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name2-(2-methoxyphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESCOc1ccccc1C1CC2CCCCN2C1
InChIInChI=1S/C15H21NO/c1-17-15-8-3-2-7-14(15)12-10-13-6-4-5-9-16(13)11-12/h2-3,7-8,12-13H,4-6,9-11H2,1H3
InChIKeyCKQLDESBQIPEMG-UHFFFAOYSA-N
XLogP3.04
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-3-(2-methoxyphenyl)pyrrolidine
CID 86814277
1-cyclohexyl-4-[4-(2-methoxyphenyl)cyclohexyl]piperazine;ethane
CID 143500480
2-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 13451069
(2S,8aR)-2-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 13451070
2-[3-(2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]piperidine-1-carbaldehyde
CID 143979657
1-cyclopropyl-2-methoxybenzene;ethane
CID 144769798
1-chloro-3-(2-methoxyphenyl)cycloheptane
CID 64507062
1-(3,4-diphenylcyclopentyl)-4-(2-methoxyphenyl)piperidine
CID 58772022
1-hydroxy-4-(2-methoxyphenyl)piperidine
CID 154170969
4-(2-methoxyphenyl)-1-(4-methyl-9-bicyclo[5.4.1]dodecanyl)piperidine
CID 58772449
(7aS)-1-methyl-6-pyrrolidin-1-yl-2,3,3a,4,5,6,7,7a-octahydroindole;1,2-dimethoxybenzene;ethane
CID 171567539
2-[(2-methoxyphenyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929865

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine?
The IUPAC name of 2-(2-methoxyphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine (CID 10308007) is 2-(2-methoxyphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine.
What is the SMILES notation for 2-(2-methoxyphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine?
The canonical SMILES for 2-(2-methoxyphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine is COc1ccccc1C1CC2CCCCN2C1.
What is the InChIKey of 2-(2-methoxyphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine?
The InChIKey is CKQLDESBQIPEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-17-15-8-3-2-7-14(15)12-10-13-6-4-5-9-16(13)11-12/h2-3,7-8,12-13H,4-6,9-11H2,1H3.
What are the key properties of 2-(2-methoxyphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine?
2-(2-methoxyphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine has a molecular weight of 231.34 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine is sourced from PubChem (CID 10308007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).