1-[2-methoxy-6-(oxolan-2-ylmethoxy)phenyl]ethanamine

C14H21NO3 — CID 113389072

IUPAC1-[2-methoxy-6-(oxolan-2-ylmethoxy)phenyl]ethanamine
SMILESCOc1cccc(OCC2CCCO2)c1C(C)N
InChIInChI=1S/C14H21NO3/c1-10(15)14-12(16-2)6-3-7-13(14)18-9-11-5-4-8-17-11/h3,6-7,10-11H,4-5,8-9,15H2,1-2H3
InChIKeySLDPWZOHNIYSJU-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.27
Rot. Bonds5

About 1-[2-methoxy-6-(oxolan-2-ylmethoxy)phenyl]ethanamine

1-[2-methoxy-6-(oxolan-2-ylmethoxy)phenyl]ethanamine (PubChem CID 113389072) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[2-methoxy-6-(oxolan-2-ylmethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[2-methoxy-6-(oxolan-2-ylmethoxy)phenyl]ethanamine
PubChem CID113389072
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name1-[2-methoxy-6-(oxolan-2-ylmethoxy)phenyl]ethanamine
SMILESCOc1cccc(OCC2CCCO2)c1C(C)N
InChIInChI=1S/C14H21NO3/c1-10(15)14-12(16-2)6-3-7-13(14)18-9-11-5-4-8-17-11/h3,6-7,10-11H,4-5,8-9,15H2,1-2H3
InChIKeySLDPWZOHNIYSJU-UHFFFAOYSA-N
XLogP2.27
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]ethanamine
CID 16790426
1-[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]propan-2-amine
CID 60907628
1-(2,6-dimethoxyphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 104993546
(1S)-1-[2-(oxolan-2-ylmethoxy)phenyl]propan-1-amine
CID 78932149
(1S)-1-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]ethanamine
CID 78937766
1-[3,5-dimethoxy-4-(oxolan-2-ylmethoxy)phenyl]propan-2-amine
CID 60906720
2-[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]ethanamine
CID 60905797
[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]methanol
CID 43471574
(1R)-1-[2-(2-cyclopropylethoxy)-6-methoxyphenyl]ethanamine
CID 114157550
1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]butan-2-amine
CID 60906681
1-[4-methoxy-3-(oxolan-2-ylmethoxy)phenyl]butan-2-amine
CID 60906922
2-[3-methoxy-2-(oxan-2-ylmethoxy)phenyl]ethanamine
CID 60904835

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-6-(oxolan-2-ylmethoxy)phenyl]ethanamine?
The IUPAC name of 1-[2-methoxy-6-(oxolan-2-ylmethoxy)phenyl]ethanamine (CID 113389072) is 1-[2-methoxy-6-(oxolan-2-ylmethoxy)phenyl]ethanamine.
What is the SMILES notation for 1-[2-methoxy-6-(oxolan-2-ylmethoxy)phenyl]ethanamine?
The canonical SMILES for 1-[2-methoxy-6-(oxolan-2-ylmethoxy)phenyl]ethanamine is COc1cccc(OCC2CCCO2)c1C(C)N.
What is the InChIKey of 1-[2-methoxy-6-(oxolan-2-ylmethoxy)phenyl]ethanamine?
The InChIKey is SLDPWZOHNIYSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10(15)14-12(16-2)6-3-7-13(14)18-9-11-5-4-8-17-11/h3,6-7,10-11H,4-5,8-9,15H2,1-2H3.
What are the key properties of 1-[2-methoxy-6-(oxolan-2-ylmethoxy)phenyl]ethanamine?
1-[2-methoxy-6-(oxolan-2-ylmethoxy)phenyl]ethanamine has a molecular weight of 251.33 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-6-(oxolan-2-ylmethoxy)phenyl]ethanamine is sourced from PubChem (CID 113389072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).