2-(2-cyclobutylethoxy)-6-propoxyaniline

C15H23NO2 — CID 106199742

IUPAC2-(2-cyclobutylethoxy)-6-propoxyaniline
SMILESCCCOc1cccc(OCCC2CCC2)c1N
InChIInChI=1S/C15H23NO2/c1-2-10-17-13-7-4-8-14(15(13)16)18-11-9-12-5-3-6-12/h4,7-8,12H,2-3,5-6,9-11,16H2,1H3
InChIKeyLYENHBDKIRSDOC-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.63
Rot. Bonds7

About 2-(2-cyclobutylethoxy)-6-propoxyaniline

2-(2-cyclobutylethoxy)-6-propoxyaniline (PubChem CID 106199742) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-(2-cyclobutylethoxy)-6-propoxyaniline.

Molecular Properties

Compound Name2-(2-cyclobutylethoxy)-6-propoxyaniline
PubChem CID106199742
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-(2-cyclobutylethoxy)-6-propoxyaniline
SMILESCCCOc1cccc(OCCC2CCC2)c1N
InChIInChI=1S/C15H23NO2/c1-2-10-17-13-7-4-8-14(15(13)16)18-11-9-12-5-3-6-12/h4,7-8,12H,2-3,5-6,9-11,16H2,1H3
InChIKeyLYENHBDKIRSDOC-UHFFFAOYSA-N
XLogP3.63
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.63
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-[cyclopropyl(methyl)amino]ethoxy]-6-propoxyaniline
CID 102739820
N-[1-[2-(2-cyclobutylethoxy)-6-methoxyphenyl]ethyl]propan-1-amine
CID 106202382
2-(3-methylpiperidin-1-yl)-6-propoxyaniline
CID 113393275
1-(8-cyclopentyloctoxy)-2-nonoxybenzene
CID 173313671
2-(2-amino-3-propoxyanilino)-2-(hydroxymethyl)propane-1,3-diol
CID 107845644
2-(2-cyclobutylethoxy)-4-methoxyaniline
CID 106199765
1-N-(oxan-4-yl)-3-propoxybenzene-1,2-diamine
CID 113393325
2-(2-cyclobutylethoxy)-6-methylsulfanylbenzonitrile
CID 114157448
1-(2-cyclohexylethoxy)-2-iodobenzene
CID 155907429
2-chloro-6-(2-cyclobutylethoxy)benzonitrile
CID 106201553
2-(2-cyclobutylethoxy)-5-iodoaniline
CID 106199721
2-methyl-3-propoxyaniline
CID 23134606

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclobutylethoxy)-6-propoxyaniline?
The IUPAC name of 2-(2-cyclobutylethoxy)-6-propoxyaniline (CID 106199742) is 2-(2-cyclobutylethoxy)-6-propoxyaniline.
What is the SMILES notation for 2-(2-cyclobutylethoxy)-6-propoxyaniline?
The canonical SMILES for 2-(2-cyclobutylethoxy)-6-propoxyaniline is CCCOc1cccc(OCCC2CCC2)c1N.
What is the InChIKey of 2-(2-cyclobutylethoxy)-6-propoxyaniline?
The InChIKey is LYENHBDKIRSDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-2-10-17-13-7-4-8-14(15(13)16)18-11-9-12-5-3-6-12/h4,7-8,12H,2-3,5-6,9-11,16H2,1H3.
What are the key properties of 2-(2-cyclobutylethoxy)-6-propoxyaniline?
2-(2-cyclobutylethoxy)-6-propoxyaniline has a molecular weight of 249.35 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclobutylethoxy)-6-propoxyaniline is sourced from PubChem (CID 106199742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).