2-[2-(1,4-dioxan-2-yl)phenyl]ethanamine

C12H17NO2 — CID 57234479

IUPAC2-[2-(1,4-dioxan-2-yl)phenyl]ethanamine
SMILESNCCc1ccccc1C1COCCO1
InChIInChI=1S/C12H17NO2/c13-6-5-10-3-1-2-4-11(10)12-9-14-7-8-15-12/h1-4,12H,5-9,13H2
InChIKeyRMSFEEXTDMXBGR-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.28
Rot. Bonds3

About 2-[2-(1,4-dioxan-2-yl)phenyl]ethanamine

2-[2-(1,4-dioxan-2-yl)phenyl]ethanamine (PubChem CID 57234479) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-[2-(1,4-dioxan-2-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-(1,4-dioxan-2-yl)phenyl]ethanamine
PubChem CID57234479
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-[2-(1,4-dioxan-2-yl)phenyl]ethanamine
SMILESNCCc1ccccc1C1COCCO1
InChIInChI=1S/C12H17NO2/c13-6-5-10-3-1-2-4-11(10)12-9-14-7-8-15-12/h1-4,12H,5-9,13H2
InChIKeyRMSFEEXTDMXBGR-UHFFFAOYSA-N
XLogP1.28
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,4-dioxan-2-yl)phenyl]ethanamine?
The IUPAC name of 2-[2-(1,4-dioxan-2-yl)phenyl]ethanamine (CID 57234479) is 2-[2-(1,4-dioxan-2-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[2-(1,4-dioxan-2-yl)phenyl]ethanamine?
The canonical SMILES for 2-[2-(1,4-dioxan-2-yl)phenyl]ethanamine is NCCc1ccccc1C1COCCO1.
What is the InChIKey of 2-[2-(1,4-dioxan-2-yl)phenyl]ethanamine?
The InChIKey is RMSFEEXTDMXBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c13-6-5-10-3-1-2-4-11(10)12-9-14-7-8-15-12/h1-4,12H,5-9,13H2.
What are the key properties of 2-[2-(1,4-dioxan-2-yl)phenyl]ethanamine?
2-[2-(1,4-dioxan-2-yl)phenyl]ethanamine has a molecular weight of 207.27 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,4-dioxan-2-yl)phenyl]ethanamine is sourced from PubChem (CID 57234479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).