8-methoxy-5-(3-methylphenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine

C20H23NO — CID 22767440

IUPAC8-methoxy-5-(3-methylphenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine
SMILESCOc1ccc2c(c1)C1NCCCC1C2c1cccc(C)c1
InChIInChI=1S/C20H23NO/c1-13-5-3-6-14(11-13)19-16-9-8-15(22-2)12-18(16)20-17(19)7-4-10-21-20/h3,5-6,8-9,11-12,17,19-21H,4,7,10H2,1-2H3
InChIKeyVHZKZDLIYHENAO-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.19
Rot. Bonds2

About 8-methoxy-5-(3-methylphenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine

8-methoxy-5-(3-methylphenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine (PubChem CID 22767440) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is 8-methoxy-5-(3-methylphenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine.

Molecular Properties

Compound Name8-methoxy-5-(3-methylphenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine
PubChem CID22767440
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name8-methoxy-5-(3-methylphenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine
SMILESCOc1ccc2c(c1)C1NCCCC1C2c1cccc(C)c1
InChIInChI=1S/C20H23NO/c1-13-5-3-6-14(11-13)19-16-9-8-15(22-2)12-18(16)20-17(19)7-4-10-21-20/h3,5-6,8-9,11-12,17,19-21H,4,7,10H2,1-2H3
InChIKeyVHZKZDLIYHENAO-UHFFFAOYSA-N
XLogP4.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-methoxy-5-(3-methylphenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine with MolForge

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Related Compounds

8-methoxy-5-(4-methylphenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine
CID 22767499
3-(2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-5-yl)aniline
CID 22767493
5-(3-fluorophenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-8-ol
CID 22767410
5-(3-fluorophenyl)-6,7-dimethoxy-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine
CID 22767459
2-(3-methylphenyl)pyrrolidine;hydrochloride
CID 45156256
2-methyl-3-(3-methylphenyl)piperazine
CID 116829299
5-methoxy-2-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride
CID 171195842
7-methoxy-5,5-dimethyl-1,2,3,4,4a,9b-hexahydroindeno[1,2-b]pyridine;hydrochloride
CID 21436274
9-methoxy-2,3,4,4a,5,10b-hexahydro-1H-chromeno[4,3-b]pyridine
CID 83888852
8-methoxy-2,3,4,4a,6,10b-hexahydro-1H-isochromeno[4,3-b]pyridine
CID 177207224
5-(3-fluorophenyl)-7-methoxy-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine
CID 22767435
(2R)-2-(3-methylphenyl)azepane
CID 7048257

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-5-(3-methylphenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine?
The IUPAC name of 8-methoxy-5-(3-methylphenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine (CID 22767440) is 8-methoxy-5-(3-methylphenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine.
What is the SMILES notation for 8-methoxy-5-(3-methylphenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine?
The canonical SMILES for 8-methoxy-5-(3-methylphenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine is COc1ccc2c(c1)C1NCCCC1C2c1cccc(C)c1.
What is the InChIKey of 8-methoxy-5-(3-methylphenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine?
The InChIKey is VHZKZDLIYHENAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO/c1-13-5-3-6-14(11-13)19-16-9-8-15(22-2)12-18(16)20-17(19)7-4-10-21-20/h3,5-6,8-9,11-12,17,19-21H,4,7,10H2,1-2H3.
What are the key properties of 8-methoxy-5-(3-methylphenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine?
8-methoxy-5-(3-methylphenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine has a molecular weight of 293.41 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-5-(3-methylphenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine is sourced from PubChem (CID 22767440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).