5-(3-fluorophenyl)-7-methoxy-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine

C20H22FNO — CID 22767435

IUPAC5-(3-fluorophenyl)-7-methoxy-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine
SMILESCOc1ccc2c(c1)C(c1cccc(F)c1)C1CCCN(C)C21
InChIInChI=1S/C20H22FNO/c1-22-10-4-7-17-19(13-5-3-6-14(21)11-13)18-12-15(23-2)8-9-16(18)20(17)22/h3,5-6,8-9,11-12,17,19-20H,4,7,10H2,1-2H3
InChIKeyMBYBMNPVIYVCCA-UHFFFAOYSA-N
MW311.40 g/mol
LogP4.36
Rot. Bonds2

About 5-(3-fluorophenyl)-7-methoxy-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine

5-(3-fluorophenyl)-7-methoxy-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine (PubChem CID 22767435) has the molecular formula C20H22FNO and a molecular weight of 311.40 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-7-methoxy-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine.

Molecular Properties

Compound Name5-(3-fluorophenyl)-7-methoxy-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine
PubChem CID22767435
Molecular FormulaC20H22FNO
Molecular Weight311.40 g/mol
Exact Mass311.17
IUPAC Name5-(3-fluorophenyl)-7-methoxy-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine
SMILESCOc1ccc2c(c1)C(c1cccc(F)c1)C1CCCN(C)C21
InChIInChI=1S/C20H22FNO/c1-22-10-4-7-17-19(13-5-3-6-14(21)11-13)18-12-15(23-2)8-9-16(18)20(17)22/h3,5-6,8-9,11-12,17,19-20H,4,7,10H2,1-2H3
InChIKeyMBYBMNPVIYVCCA-UHFFFAOYSA-N
XLogP4.36
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(3-fluorophenyl)-7-methoxy-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine with MolForge

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Related Compounds

5-(3-fluorophenyl)-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-8-ol
CID 22767533
8-chloro-5-(3-methoxyphenyl)-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine
CID 70630852
1-methyl-5-(3-methylphenyl)-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-7-ol
CID 22767551
(2R)-2-[(3-fluorophenoxy)methyl]-1-methylpyrrolidine
CID 22857692
1-(3-fluorophenyl)sulfonyl-2-(3-methoxyphenyl)pyrrolidine
CID 51320506
7-chloro-1-methyl-5-[2-(trifluoromethyl)phenyl]-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine
CID 22767545
5-(2-chlorophenyl)-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-7-ol
CID 22767464
(4aR,5R,9bR)-1-methyl-5-(2-methylphenyl)-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine
CID 24839459
2-hydroxy-1-(3-methoxyphenyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 67692830
2-(3-methoxyphenyl)-1,3-dimethylimidazolidine
CID 14361742
8-methoxy-5-(3-methylphenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine
CID 22767440
1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 50746973

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-7-methoxy-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine?
The IUPAC name of 5-(3-fluorophenyl)-7-methoxy-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine (CID 22767435) is 5-(3-fluorophenyl)-7-methoxy-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine.
What is the SMILES notation for 5-(3-fluorophenyl)-7-methoxy-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine?
The canonical SMILES for 5-(3-fluorophenyl)-7-methoxy-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine is COc1ccc2c(c1)C(c1cccc(F)c1)C1CCCN(C)C21.
What is the InChIKey of 5-(3-fluorophenyl)-7-methoxy-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine?
The InChIKey is MBYBMNPVIYVCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO/c1-22-10-4-7-17-19(13-5-3-6-14(21)11-13)18-12-15(23-2)8-9-16(18)20(17)22/h3,5-6,8-9,11-12,17,19-20H,4,7,10H2,1-2H3.
What are the key properties of 5-(3-fluorophenyl)-7-methoxy-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine?
5-(3-fluorophenyl)-7-methoxy-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine has a molecular weight of 311.40 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-7-methoxy-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine is sourced from PubChem (CID 22767435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).