2-[3-methoxy-2-(oxan-2-ylmethoxy)phenyl]ethanamine

C15H23NO3 — CID 60904835

IUPAC2-[3-methoxy-2-(oxan-2-ylmethoxy)phenyl]ethanamine
SMILESCOc1cccc(CCN)c1OCC1CCCCO1
InChIInChI=1S/C15H23NO3/c1-17-14-7-4-5-12(8-9-16)15(14)19-11-13-6-2-3-10-18-13/h4-5,7,13H,2-3,6,8-11,16H2,1H3
InChIKeyAFMLROUJFUPGNE-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.14
Rot. Bonds6

About 2-[3-methoxy-2-(oxan-2-ylmethoxy)phenyl]ethanamine

2-[3-methoxy-2-(oxan-2-ylmethoxy)phenyl]ethanamine (PubChem CID 60904835) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-[3-methoxy-2-(oxan-2-ylmethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-methoxy-2-(oxan-2-ylmethoxy)phenyl]ethanamine
PubChem CID60904835
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-[3-methoxy-2-(oxan-2-ylmethoxy)phenyl]ethanamine
SMILESCOc1cccc(CCN)c1OCC1CCCCO1
InChIInChI=1S/C15H23NO3/c1-17-14-7-4-5-12(8-9-16)15(14)19-11-13-6-2-3-10-18-13/h4-5,7,13H,2-3,6,8-11,16H2,1H3
InChIKeyAFMLROUJFUPGNE-UHFFFAOYSA-N
XLogP2.14
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]ethanamine
CID 60905797
2-[3-ethoxy-2-(oxan-2-ylmethoxy)phenyl]ethanamine
CID 60904856
[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]methanol
CID 43471574
N-[[3-methoxy-2-(oxan-2-ylmethoxy)phenyl]methyl]ethanamine
CID 43591779
1-[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]propan-2-amine
CID 60907628
1-cyclohexyl-N-[[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]methyl]methanamine
CID 54804284
2-[3,5-dimethoxy-4-(oxolan-2-ylmethoxy)phenyl]ethanamine
CID 60904754
N-[[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]methyl]prop-2-en-1-amine
CID 54850191
[3-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]methanamine
CID 65158689
N-[[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]methyl]heptan-1-amine
CID 54847644
4-methoxy-3-(oxan-2-ylmethoxy)aniline
CID 43591699
2-[3-methoxy-2-(4-methoxybutoxy)phenyl]ethanamine
CID 104648792

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-2-(oxan-2-ylmethoxy)phenyl]ethanamine?
The IUPAC name of 2-[3-methoxy-2-(oxan-2-ylmethoxy)phenyl]ethanamine (CID 60904835) is 2-[3-methoxy-2-(oxan-2-ylmethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[3-methoxy-2-(oxan-2-ylmethoxy)phenyl]ethanamine?
The canonical SMILES for 2-[3-methoxy-2-(oxan-2-ylmethoxy)phenyl]ethanamine is COc1cccc(CCN)c1OCC1CCCCO1.
What is the InChIKey of 2-[3-methoxy-2-(oxan-2-ylmethoxy)phenyl]ethanamine?
The InChIKey is AFMLROUJFUPGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-17-14-7-4-5-12(8-9-16)15(14)19-11-13-6-2-3-10-18-13/h4-5,7,13H,2-3,6,8-11,16H2,1H3.
What are the key properties of 2-[3-methoxy-2-(oxan-2-ylmethoxy)phenyl]ethanamine?
2-[3-methoxy-2-(oxan-2-ylmethoxy)phenyl]ethanamine has a molecular weight of 265.35 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-2-(oxan-2-ylmethoxy)phenyl]ethanamine is sourced from PubChem (CID 60904835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).