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

C20H24N2O — CID 22767488

IUPAC2-(7-methoxy-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-5-yl)aniline
SMILESCOc1ccc2c(c1)C(c1ccccc1N)C1CCCN(C)C21
InChIInChI=1S/C20H24N2O/c1-22-11-5-7-16-19(15-6-3-4-8-18(15)21)17-12-13(23-2)9-10-14(17)20(16)22/h3-4,6,8-10,12,16,19-20H,5,7,11,21H2,1-2H3
InChIKeyOSXNGCGKAHLKJQ-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.81
Rot. Bonds2

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

2-(7-methoxy-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-5-yl)aniline (PubChem CID 22767488) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-(7-methoxy-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-5-yl)aniline.

Molecular Properties

Compound Name2-(7-methoxy-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-5-yl)aniline
PubChem CID22767488
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name2-(7-methoxy-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-5-yl)aniline
SMILESCOc1ccc2c(c1)C(c1ccccc1N)C1CCCN(C)C21
InChIInChI=1S/C20H24N2O/c1-22-11-5-7-16-19(15-6-3-4-8-18(15)21)17-12-13(23-2)9-10-14(17)20(16)22/h3-4,6,8-10,12,16,19-20H,5,7,11,21H2,1-2H3
InChIKeyOSXNGCGKAHLKJQ-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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Related Compounds

1H-Indeno(1,2-b)pyridin-7-ol, 2,3,4,4a,5,9b-hexahydro-5-(4-aminophenyl)-, (4a-alpha,5-alpha,9b-alpha)-
CID 55854
1H-Indeno(1,2-b)pyridin-7-ol, 2,3,4,4a,5,9b-hexahydro-5-(3-amino-4-methylphenyl)-, (4a-alpha,5-alpha,9b-alpha)-
CID 55879
(R)-11-Amino-2-methoxyaporphine
CID 44568533
[2-(3-Amino-phenyl)-ethyl]-(5,6-dimethoxy-indan-2-yl)-propyl-amine
CID 10861170
Benzenamine, 4-(2,3,4,4a,5,9b-hexahydro-7-methoxy-1H-indeno(1,2-b)pyridin-5-yl)-, (4a-alpha,5-beta,9b-alpha)-
CID 55853
1H-Indeno(1,2-b)pyridin-7-ol, 2,3,4,4a,5,9b-hexahydro-7-methoxy-5-(4-methylphenyl)-, (4a-alpha,5-beta,9b-alpha)-
CID 55856
1H-Indeno(1,2-b)pyridin-7-ol, 2,3,4,4a,5,9b-hexahydro-5-(3-amino-4-methylphenyl)-, (4a-alpha,5-beta,9b-alpha)-
CID 55859
Benzenamine, N,N-dimethyl-4-(2,3,4,4a,5,9b-hexahydro-7-methoxy-1H-indeno(1,2-b)pyridin-5-yl)-, (4a-alpha,5-beta,9b-alpha)-
CID 55862
1H-Indeno(1,2-b)pyridin-7-ol, 2,3,4,4a,5,9b-hexahydro-5-(4-(dimethylamino)phenyl)-, (4a-alpha,5-beta,9b-alpha)-
CID 55863
Benzenamine, 4-(2,3,4,4a,5,9b-hexahydro-7,8-dimethoxy-1H-indeno(1,2-b)pyridin-5-yl)-, (4a-alpha,5-beta,9b-alpha)-
CID 55865
Benzenamine, 4-(2,3,4,4a,5,9b-hexahydro-7-methoxy-1H-indeno(1,2-b)pyridin-5-yl)-, (4a-alpha,5-alpha,9b-alpha)-
CID 55878
1H-Indeno(1,2-b)pyridine, 2,3,4,4a,5,9b-hexahydro-7-methoxy-1-methyl-5-(4-methylphenyl)-, (4a-alpha,5-alpha,9b-alpha)-
CID 24839458

Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-5-yl)aniline?
The IUPAC name of 2-(7-methoxy-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-5-yl)aniline (CID 22767488) is 2-(7-methoxy-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-5-yl)aniline.
What is the SMILES notation for 2-(7-methoxy-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-5-yl)aniline?
The canonical SMILES for 2-(7-methoxy-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-5-yl)aniline is COc1ccc2c(c1)C(c1ccccc1N)C1CCCN(C)C21.
What is the InChIKey of 2-(7-methoxy-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-5-yl)aniline?
The InChIKey is OSXNGCGKAHLKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-22-11-5-7-16-19(15-6-3-4-8-18(15)21)17-12-13(23-2)9-10-14(17)20(16)22/h3-4,6,8-10,12,16,19-20H,5,7,11,21H2,1-2H3.
What are the key properties of 2-(7-methoxy-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-5-yl)aniline?
2-(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 2-(7-methoxy-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-5-yl)aniline is sourced from PubChem (CID 22767488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).