2-[3-(2-ethylpyrrolidin-1-yl)propoxy]aniline

C15H24N2O — CID 54882910

IUPAC2-[3-(2-ethylpyrrolidin-1-yl)propoxy]aniline
SMILESCCC1CCCN1CCCOc1ccccc1N
InChIInChI=1S/C15H24N2O/c1-2-13-7-5-10-17(13)11-6-12-18-15-9-4-3-8-14(15)16/h3-4,8-9,13H,2,5-7,10-12,16H2,1H3
InChIKeyKHPFUVULSLCBCB-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.91
Rot. Bonds6

About 2-[3-(2-ethylpyrrolidin-1-yl)propoxy]aniline

2-[3-(2-ethylpyrrolidin-1-yl)propoxy]aniline (PubChem CID 54882910) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[3-(2-ethylpyrrolidin-1-yl)propoxy]aniline.

Molecular Properties

Compound Name2-[3-(2-ethylpyrrolidin-1-yl)propoxy]aniline
PubChem CID54882910
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-[3-(2-ethylpyrrolidin-1-yl)propoxy]aniline
SMILESCCC1CCCN1CCCOc1ccccc1N
InChIInChI=1S/C15H24N2O/c1-2-13-7-5-10-17(13)11-6-12-18-15-9-4-3-8-14(15)16/h3-4,8-9,13H,2,5-7,10-12,16H2,1H3
InChIKeyKHPFUVULSLCBCB-UHFFFAOYSA-N
XLogP2.91
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-ethylpyrrolidin-1-yl)ethoxy]aniline
CID 60973851
3-[1-[3-(2-aminophenoxy)propyl]pyrrolidin-2-yl]propan-1-ol
CID 62466981
2-[2-(2-ethylpyrrolidin-1-yl)ethoxy]benzoic acid
CID 60973416
1-[2-[2-[[(2S)-2-ethylpyrrolidin-1-yl]methyl]phenoxy]ethyl]piperidine
CID 124750935
2-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethoxy]aniline
CID 65319312
3-[1-[3-(2-methylphenoxy)propyl]pyrrolidin-2-yl]propan-1-ol
CID 111103083
[2-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]methanamine
CID 54882055
2-[3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propyl]aniline
CID 107274456
2-[2-[3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propoxy]phenyl]acetic acid
CID 54464897
(2S)-2-(methoxymethyl)-1-(3-phenoxypropyl)pyrrolidine
CID 141200367
3-bromo-2-[(2-ethylpyrrolidin-1-yl)methyl]aniline
CID 60973615
1-(2-ethoxyphenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine
CID 54882989

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-ethylpyrrolidin-1-yl)propoxy]aniline?
The IUPAC name of 2-[3-(2-ethylpyrrolidin-1-yl)propoxy]aniline (CID 54882910) is 2-[3-(2-ethylpyrrolidin-1-yl)propoxy]aniline.
What is the SMILES notation for 2-[3-(2-ethylpyrrolidin-1-yl)propoxy]aniline?
The canonical SMILES for 2-[3-(2-ethylpyrrolidin-1-yl)propoxy]aniline is CCC1CCCN1CCCOc1ccccc1N.
What is the InChIKey of 2-[3-(2-ethylpyrrolidin-1-yl)propoxy]aniline?
The InChIKey is KHPFUVULSLCBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-2-13-7-5-10-17(13)11-6-12-18-15-9-4-3-8-14(15)16/h3-4,8-9,13H,2,5-7,10-12,16H2,1H3.
What are the key properties of 2-[3-(2-ethylpyrrolidin-1-yl)propoxy]aniline?
2-[3-(2-ethylpyrrolidin-1-yl)propoxy]aniline has a molecular weight of 248.37 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-ethylpyrrolidin-1-yl)propoxy]aniline is sourced from PubChem (CID 54882910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).