1-(3,4-dimethoxyphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine

C16H23NO2 — CID 71301921

IUPAC1-(3,4-dimethoxyphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESCOc1ccc(C2CCN3CCCCC23)cc1OC
InChIInChI=1S/C16H23NO2/c1-18-15-7-6-12(11-16(15)19-2)13-8-10-17-9-4-3-5-14(13)17/h6-7,11,13-14H,3-5,8-10H2,1-2H3
InChIKeyNGKYOIDNLPASNC-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.05
Rot. Bonds3

About 1-(3,4-dimethoxyphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine

1-(3,4-dimethoxyphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine (PubChem CID 71301921) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine
PubChem CID71301921
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-(3,4-dimethoxyphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESCOc1ccc(C2CCN3CCCCC23)cc1OC
InChIInChI=1S/C16H23NO2/c1-18-15-7-6-12(11-16(15)19-2)13-8-10-17-9-4-3-5-14(13)17/h6-7,11,13-14H,3-5,8-10H2,1-2H3
InChIKeyNGKYOIDNLPASNC-UHFFFAOYSA-N
XLogP3.05
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dimethoxyphenyl)-1-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]piperidine-2,4-dione
CID 18655775
4-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclopropyl]-1,2-dimethoxybenzene
CID 71406141
2-(3,4-dimethoxyphenyl)-N-methylcycloheptan-1-amine
CID 62801123
(1S,8aR)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 96932938
[3-methoxy-4-(2-pyrrolidin-1-ylcyclohexyl)oxyphenyl]methanediol
CID 20666845
1-[(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]pyrrolidine
CID 16735227
1-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclohexyl]-4-phenoxy-2H-pyridine
CID 141025412
azane;4-cyclopropyl-1,2-dimethoxybenzene
CID 23170558
N-[(5-chloro-2-methoxyphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 60958335
(6S,9aS)-6-(3,4-dimethoxyphenyl)-8-methylidene-1,2,3,4,6,7,9,9a-octahydroquinolizine
CID 15839376
N-[[2-(3,4-dimethoxyphenyl)cyclohexyl]methyl]ethanamine
CID 81026742
2-(3-cyclopentyloxy-4-methoxyphenyl)cyclopropan-1-amine
CID 70068192

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine (CID 71301921) is 1-(3,4-dimethoxyphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine is COc1ccc(C2CCN3CCCCC23)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine?
The InChIKey is NGKYOIDNLPASNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-18-15-7-6-12(11-16(15)19-2)13-8-10-17-9-4-3-5-14(13)17/h6-7,11,13-14H,3-5,8-10H2,1-2H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine?
1-(3,4-dimethoxyphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine has a molecular weight of 261.37 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine is sourced from PubChem (CID 71301921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).