2-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethoxy]aniline

C16H24N2O — CID 65319312

IUPAC2-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethoxy]aniline
SMILESNc1ccccc1OCCN1CCCC2CCCC21
InChIInChI=1S/C16H24N2O/c17-14-7-1-2-9-16(14)19-12-11-18-10-4-6-13-5-3-8-15(13)18/h1-2,7,9,13,15H,3-6,8,10-12,17H2
InChIKeyWTYOYOBACQTTSG-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.91
Rot. Bonds4

About 2-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethoxy]aniline

2-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethoxy]aniline (PubChem CID 65319312) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethoxy]aniline.

Molecular Properties

Compound Name2-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethoxy]aniline
PubChem CID65319312
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethoxy]aniline
SMILESNc1ccccc1OCCN1CCCC2CCCC21
InChIInChI=1S/C16H24N2O/c17-14-7-1-2-9-16(14)19-12-11-18-10-4-6-13-5-3-8-15(13)18/h1-2,7,9,13,15H,3-6,8,10-12,17H2
InChIKeyWTYOYOBACQTTSG-UHFFFAOYSA-N
XLogP2.91
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.91
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

2-[2-(2-ethylpyrrolidin-1-yl)ethoxy]aniline
CID 60973851
2-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]aniline
CID 62495237
2-[3-(2-ethylpyrrolidin-1-yl)propoxy]aniline
CID 54882910
1-[2-(2-ethoxyphenoxy)ethyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102681573
2-[2-(azocan-1-yl)ethoxy]aniline
CID 43174279
1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-(2-aminophenoxy)propan-1-one
CID 82751602
[2-[3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propoxy]phenyl]methanamine
CID 82752031
3-[1-[3-(2-aminophenoxy)propyl]pyrrolidin-2-yl]propan-1-ol
CID 62466981
2-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethoxy]aniline
CID 79940825
2-[2-(2,3,5-trimethylpiperidin-1-yl)ethoxy]aniline
CID 114592202
2-(2-cyclobutyloxyethoxy)aniline
CID 62116635
1-[(2R)-2-[(2S)-1-[2-(2-fluorophenoxy)ethyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95307713

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethoxy]aniline?
The IUPAC name of 2-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethoxy]aniline (CID 65319312) is 2-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethoxy]aniline.
What is the SMILES notation for 2-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethoxy]aniline?
The canonical SMILES for 2-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethoxy]aniline is Nc1ccccc1OCCN1CCCC2CCCC21.
What is the InChIKey of 2-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethoxy]aniline?
The InChIKey is WTYOYOBACQTTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c17-14-7-1-2-9-16(14)19-12-11-18-10-4-6-13-5-3-8-15(13)18/h1-2,7,9,13,15H,3-6,8,10-12,17H2.
What are the key properties of 2-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethoxy]aniline?
2-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethoxy]aniline has a molecular weight of 260.38 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethoxy]aniline is sourced from PubChem (CID 65319312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).