3-(2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-5-yl)aniline

C18H20N2 — CID 22767493

IUPAC3-(2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-5-yl)aniline
SMILESNc1cccc(C2c3ccccc3C3NCCCC32)c1
InChIInChI=1S/C18H20N2/c19-13-6-3-5-12(11-13)17-14-7-1-2-8-15(14)18-16(17)9-4-10-20-18/h1-3,5-8,11,16-18,20H,4,9-10,19H2
InChIKeyWGOPNFQXUSGBOU-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.45
Rot. Bonds1

About 3-(2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-5-yl)aniline

3-(2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-5-yl)aniline (PubChem CID 22767493) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-(2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-5-yl)aniline.

Molecular Properties

Compound Name3-(2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-5-yl)aniline
PubChem CID22767493
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name3-(2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-5-yl)aniline
SMILESNc1cccc(C2c3ccccc3C3NCCCC32)c1
InChIInChI=1S/C18H20N2/c19-13-6-3-5-12(11-13)17-14-7-1-2-8-15(14)18-16(17)9-4-10-20-18/h1-3,5-8,11,16-18,20H,4,9-10,19H2
InChIKeyWGOPNFQXUSGBOU-UHFFFAOYSA-N
XLogP3.45
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(3-fluorophenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-8-ol
CID 22767410
8-methoxy-5-(3-methylphenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine
CID 22767440
5-(2-fluorophenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-8-ol
CID 22767497
3-[(3S)-pyrrolidin-3-yl]aniline
CID 86324837
8-methoxy-5-(4-methylphenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine
CID 22767499
5-(3-fluorophenyl)-6,7-dimethoxy-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine
CID 22767459
(2S,3R)-2-phenylpiperidin-3-amine
CID 56845355
3-piperazin-2-ylaniline
CID 45099675
3-cycloheptylaniline
CID 22019641
3-[(1S,2S)-2-aminocyclohexyl]aniline
CID 131176039
3-[(1R,2S)-2-aminocyclohexyl]aniline
CID 130754424
2-phenylpiperidin-3-ol
CID 18782643

Frequently Asked Questions

What is the IUPAC name of 3-(2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-5-yl)aniline?
The IUPAC name of 3-(2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-5-yl)aniline (CID 22767493) is 3-(2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-5-yl)aniline.
What is the SMILES notation for 3-(2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-5-yl)aniline?
The canonical SMILES for 3-(2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-5-yl)aniline is Nc1cccc(C2c3ccccc3C3NCCCC32)c1.
What is the InChIKey of 3-(2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-5-yl)aniline?
The InChIKey is WGOPNFQXUSGBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c19-13-6-3-5-12(11-13)17-14-7-1-2-8-15(14)18-16(17)9-4-10-20-18/h1-3,5-8,11,16-18,20H,4,9-10,19H2.
What are the key properties of 3-(2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-5-yl)aniline?
3-(2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-5-yl)aniline has a molecular weight of 264.37 g/mol, XLogP of 3.45, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-5-yl)aniline is sourced from PubChem (CID 22767493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).