3-(7-methoxy-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-5-yl)aniline

C20H24N2O — CID 22767438

IUPAC3-(7-methoxy-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-5-yl)aniline
SMILESCOc1ccc2c(c1)C(c1cccc(N)c1)C1CCCN(C)C21
InChIInChI=1S/C20H24N2O/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,4,7,10,21H2,1-2H3
InChIKeySVTMNJYJTOWGJL-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.81
Rot. Bonds2

About 3-(7-methoxy-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-5-yl)aniline

3-(7-methoxy-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-5-yl)aniline (PubChem CID 22767438) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 3-(7-methoxy-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-5-yl)aniline.

Molecular Properties

Compound Name3-(7-methoxy-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-5-yl)aniline
PubChem CID22767438
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name3-(7-methoxy-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-5-yl)aniline
SMILESCOc1ccc2c(c1)C(c1cccc(N)c1)C1CCCN(C)C21
InChIInChI=1S/C20H24N2O/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,4,7,10,21H2,1-2H3
InChIKeySVTMNJYJTOWGJL-UHFFFAOYSA-N
XLogP3.81
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(7-methoxy-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-5-yl)aniline?
The IUPAC name of 3-(7-methoxy-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-5-yl)aniline (CID 22767438) is 3-(7-methoxy-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-5-yl)aniline.
What is the SMILES notation for 3-(7-methoxy-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-5-yl)aniline?
The canonical SMILES for 3-(7-methoxy-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-5-yl)aniline is COc1ccc2c(c1)C(c1cccc(N)c1)C1CCCN(C)C21.
What is the InChIKey of 3-(7-methoxy-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-5-yl)aniline?
The InChIKey is SVTMNJYJTOWGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/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,4,7,10,21H2,1-2H3.
What are the key properties of 3-(7-methoxy-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-5-yl)aniline?
3-(7-methoxy-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-5-yl)aniline has a molecular weight of 308.43 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methoxy-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-5-yl)aniline is sourced from PubChem (CID 22767438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).