2-[2-(2-ethylpyrrolidin-1-yl)ethoxy]aniline

C14H22N2O — CID 60973851

IUPAC2-[2-(2-ethylpyrrolidin-1-yl)ethoxy]aniline
SMILESCCC1CCCN1CCOc1ccccc1N
InChIInChI=1S/C14H22N2O/c1-2-12-6-5-9-16(12)10-11-17-14-8-4-3-7-13(14)15/h3-4,7-8,12H,2,5-6,9-11,15H2,1H3
InChIKeyLOTNUMXLRQTTAY-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.52
Rot. Bonds5

About 2-[2-(2-ethylpyrrolidin-1-yl)ethoxy]aniline

2-[2-(2-ethylpyrrolidin-1-yl)ethoxy]aniline (PubChem CID 60973851) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[2-(2-ethylpyrrolidin-1-yl)ethoxy]aniline.

Molecular Properties

Compound Name2-[2-(2-ethylpyrrolidin-1-yl)ethoxy]aniline
PubChem CID60973851
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-[2-(2-ethylpyrrolidin-1-yl)ethoxy]aniline
SMILESCCC1CCCN1CCOc1ccccc1N
InChIInChI=1S/C14H22N2O/c1-2-12-6-5-9-16(12)10-11-17-14-8-4-3-7-13(14)15/h3-4,7-8,12H,2,5-6,9-11,15H2,1H3
InChIKeyLOTNUMXLRQTTAY-UHFFFAOYSA-N
XLogP2.52
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.52
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-[3-(2-ethylpyrrolidin-1-yl)propoxy]aniline
CID 54882910
2-[2-(2-ethylpyrrolidin-1-yl)ethoxy]benzoic acid
CID 60973416
2-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethoxy]aniline
CID 65319312
1-[2-[2-[[(2S)-2-ethylpyrrolidin-1-yl]methyl]phenoxy]ethyl]piperidine
CID 124750935
3-[1-[3-(2-aminophenoxy)propyl]pyrrolidin-2-yl]propan-1-ol
CID 62466981
[(2S)-1-[2-(2-fluorophenoxy)ethyl]pyrrolidin-2-yl]methanol
CID 78942355
1-[2-(2-ethoxyphenoxy)ethyl]-N'-hydroxypyrrolidine-2-carboximidamide
CID 77073403
3-[1-[2-(2-methylphenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 62467802
3-bromo-2-[(2-ethylpyrrolidin-1-yl)methyl]aniline
CID 60973615
2-[2-(azocan-1-yl)ethoxy]aniline
CID 43174279
1-(2-ethoxyphenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine
CID 54882989
2-(2-aminophenoxy)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylacetamide
CID 79304400

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethylpyrrolidin-1-yl)ethoxy]aniline?
The IUPAC name of 2-[2-(2-ethylpyrrolidin-1-yl)ethoxy]aniline (CID 60973851) is 2-[2-(2-ethylpyrrolidin-1-yl)ethoxy]aniline.
What is the SMILES notation for 2-[2-(2-ethylpyrrolidin-1-yl)ethoxy]aniline?
The canonical SMILES for 2-[2-(2-ethylpyrrolidin-1-yl)ethoxy]aniline is CCC1CCCN1CCOc1ccccc1N.
What is the InChIKey of 2-[2-(2-ethylpyrrolidin-1-yl)ethoxy]aniline?
The InChIKey is LOTNUMXLRQTTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-2-12-6-5-9-16(12)10-11-17-14-8-4-3-7-13(14)15/h3-4,7-8,12H,2,5-6,9-11,15H2,1H3.
What are the key properties of 2-[2-(2-ethylpyrrolidin-1-yl)ethoxy]aniline?
2-[2-(2-ethylpyrrolidin-1-yl)ethoxy]aniline has a molecular weight of 234.34 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethylpyrrolidin-1-yl)ethoxy]aniline is sourced from PubChem (CID 60973851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).