2-[3-(3,3-diethylazetidin-1-yl)phenoxy]ethanamine

C15H24N2O — CID 79677781

IUPAC2-[3-(3,3-diethylazetidin-1-yl)phenoxy]ethanamine
SMILESCCC1(CC)CN(c2cccc(OCCN)c2)C1
InChIInChI=1S/C15H24N2O/c1-3-15(4-2)11-17(12-15)13-6-5-7-14(10-13)18-9-8-16/h5-7,10H,3-4,8-9,11-12,16H2,1-2H3
InChIKeyDZQKPPWFEFKJSE-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.65
Rot. Bonds6

About 2-[3-(3,3-diethylazetidin-1-yl)phenoxy]ethanamine

2-[3-(3,3-diethylazetidin-1-yl)phenoxy]ethanamine (PubChem CID 79677781) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[3-(3,3-diethylazetidin-1-yl)phenoxy]ethanamine.

Molecular Properties

Compound Name2-[3-(3,3-diethylazetidin-1-yl)phenoxy]ethanamine
PubChem CID79677781
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-[3-(3,3-diethylazetidin-1-yl)phenoxy]ethanamine
SMILESCCC1(CC)CN(c2cccc(OCCN)c2)C1
InChIInChI=1S/C15H24N2O/c1-3-15(4-2)11-17(12-15)13-6-5-7-14(10-13)18-9-8-16/h5-7,10H,3-4,8-9,11-12,16H2,1-2H3
InChIKeyDZQKPPWFEFKJSE-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,3-diethylazetidin-1-yl)phenoxy]ethanamine?
The IUPAC name of 2-[3-(3,3-diethylazetidin-1-yl)phenoxy]ethanamine (CID 79677781) is 2-[3-(3,3-diethylazetidin-1-yl)phenoxy]ethanamine.
What is the SMILES notation for 2-[3-(3,3-diethylazetidin-1-yl)phenoxy]ethanamine?
The canonical SMILES for 2-[3-(3,3-diethylazetidin-1-yl)phenoxy]ethanamine is CCC1(CC)CN(c2cccc(OCCN)c2)C1.
What is the InChIKey of 2-[3-(3,3-diethylazetidin-1-yl)phenoxy]ethanamine?
The InChIKey is DZQKPPWFEFKJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-15(4-2)11-17(12-15)13-6-5-7-14(10-13)18-9-8-16/h5-7,10H,3-4,8-9,11-12,16H2,1-2H3.
What are the key properties of 2-[3-(3,3-diethylazetidin-1-yl)phenoxy]ethanamine?
2-[3-(3,3-diethylazetidin-1-yl)phenoxy]ethanamine has a molecular weight of 248.37 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,3-diethylazetidin-1-yl)phenoxy]ethanamine is sourced from PubChem (CID 79677781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).