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

C16H25NO3 — CID 60904856

IUPAC2-[3-ethoxy-2-(oxan-2-ylmethoxy)phenyl]ethanamine
SMILESCCOc1cccc(CCN)c1OCC1CCCCO1
InChIInChI=1S/C16H25NO3/c1-2-18-15-8-5-6-13(9-10-17)16(15)20-12-14-7-3-4-11-19-14/h5-6,8,14H,2-4,7,9-12,17H2,1H3
InChIKeyUPMVRCCNPHQDOD-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.53
Rot. Bonds7

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

2-[3-ethoxy-2-(oxan-2-ylmethoxy)phenyl]ethanamine (PubChem CID 60904856) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[3-ethoxy-2-(oxan-2-ylmethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-ethoxy-2-(oxan-2-ylmethoxy)phenyl]ethanamine
PubChem CID60904856
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-[3-ethoxy-2-(oxan-2-ylmethoxy)phenyl]ethanamine
SMILESCCOc1cccc(CCN)c1OCC1CCCCO1
InChIInChI=1S/C16H25NO3/c1-2-18-15-8-5-6-13(9-10-17)16(15)20-12-14-7-3-4-11-19-14/h5-6,8,14H,2-4,7,9-12,17H2,1H3
InChIKeyUPMVRCCNPHQDOD-UHFFFAOYSA-N
XLogP2.53
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-methoxy-2-(oxan-2-ylmethoxy)phenyl]ethanamine
CID 60904835
2-[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]ethanamine
CID 60905797
1-[3-ethoxy-2-(oxolan-2-ylmethoxy)phenyl]butan-2-amine
CID 60907517
N-[[3-methoxy-2-(oxan-2-ylmethoxy)phenyl]methyl]ethanamine
CID 43591779
2-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-3-ethoxyphenyl]ethanamine
CID 79562530
2-(3-ethoxy-2-pentoxyphenyl)ethanamine
CID 54930821
[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]methanol
CID 43471574
2-(3-ethoxy-2-heptoxyphenyl)ethanamine
CID 60905453
1-[3-fluoro-2-(oxan-2-ylmethoxy)phenyl]butan-2-amine
CID 115958795
1-[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]propan-2-amine
CID 60907628
N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-(oxan-2-yl)ethanamine
CID 103992776
2-[[2-(bromomethyl)-6-fluorophenoxy]methyl]oxane
CID 112614015

Frequently Asked Questions

What is the IUPAC name of 2-[3-ethoxy-2-(oxan-2-ylmethoxy)phenyl]ethanamine?
The IUPAC name of 2-[3-ethoxy-2-(oxan-2-ylmethoxy)phenyl]ethanamine (CID 60904856) is 2-[3-ethoxy-2-(oxan-2-ylmethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[3-ethoxy-2-(oxan-2-ylmethoxy)phenyl]ethanamine?
The canonical SMILES for 2-[3-ethoxy-2-(oxan-2-ylmethoxy)phenyl]ethanamine is CCOc1cccc(CCN)c1OCC1CCCCO1.
What is the InChIKey of 2-[3-ethoxy-2-(oxan-2-ylmethoxy)phenyl]ethanamine?
The InChIKey is UPMVRCCNPHQDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-2-18-15-8-5-6-13(9-10-17)16(15)20-12-14-7-3-4-11-19-14/h5-6,8,14H,2-4,7,9-12,17H2,1H3.
What are the key properties of 2-[3-ethoxy-2-(oxan-2-ylmethoxy)phenyl]ethanamine?
2-[3-ethoxy-2-(oxan-2-ylmethoxy)phenyl]ethanamine has a molecular weight of 279.38 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethoxy-2-(oxan-2-ylmethoxy)phenyl]ethanamine is sourced from PubChem (CID 60904856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).