1-[4-(oxolan-3-yloxy)phenyl]ethanamine

C12H17NO2 — CID 63556855

IUPAC1-[4-(oxolan-3-yloxy)phenyl]ethanamine
SMILESCC(N)c1ccc(OC2CCOC2)cc1
InChIInChI=1S/C12H17NO2/c1-9(13)10-2-4-11(5-3-10)15-12-6-7-14-8-12/h2-5,9,12H,6-8,13H2,1H3
InChIKeyLGVXUPOCWWMWCW-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.87
Rot. Bonds3

About 1-[4-(oxolan-3-yloxy)phenyl]ethanamine

1-[4-(oxolan-3-yloxy)phenyl]ethanamine (PubChem CID 63556855) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 1-[4-(oxolan-3-yloxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-(oxolan-3-yloxy)phenyl]ethanamine
PubChem CID63556855
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name1-[4-(oxolan-3-yloxy)phenyl]ethanamine
SMILESCC(N)c1ccc(OC2CCOC2)cc1
InChIInChI=1S/C12H17NO2/c1-9(13)10-2-4-11(5-3-10)15-12-6-7-14-8-12/h2-5,9,12H,6-8,13H2,1H3
InChIKeyLGVXUPOCWWMWCW-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[4-(oxolan-3-yloxy)phenyl]ethanamine;hydrochloride
CID 175741673
(3S)-3-(4-propan-2-ylphenoxy)oxolane
CID 59112216
(1R)-1-[3-[(3R)-oxolan-3-yl]oxyphenyl]ethanamine
CID 67021938
1-[4-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine
CID 79899545
1-[4-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanamine
CID 79904241
(1S)-1-[5-(oxolan-3-yloxy)-2-pyridinyl]ethanamine
CID 83123778
(1R)-1-[3-bromo-4-(oxolan-3-yloxy)phenyl]ethanamine
CID 78945077
(1R)-1-[3-fluoro-4-(oxolan-3-yloxy)phenyl]ethanamine
CID 63558652
1-(4-cyclopentyloxyphenyl)ethanamine;hydrochloride
CID 155890234
(3R)-3-(4-iodophenoxy)oxolane
CID 155595271
(1S)-1-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]ethanamine
CID 113369198
1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]ethanamine
CID 64737275

Frequently Asked Questions

What is the IUPAC name of 1-[4-(oxolan-3-yloxy)phenyl]ethanamine?
The IUPAC name of 1-[4-(oxolan-3-yloxy)phenyl]ethanamine (CID 63556855) is 1-[4-(oxolan-3-yloxy)phenyl]ethanamine.
What is the SMILES notation for 1-[4-(oxolan-3-yloxy)phenyl]ethanamine?
The canonical SMILES for 1-[4-(oxolan-3-yloxy)phenyl]ethanamine is CC(N)c1ccc(OC2CCOC2)cc1.
What is the InChIKey of 1-[4-(oxolan-3-yloxy)phenyl]ethanamine?
The InChIKey is LGVXUPOCWWMWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9(13)10-2-4-11(5-3-10)15-12-6-7-14-8-12/h2-5,9,12H,6-8,13H2,1H3.
What are the key properties of 1-[4-(oxolan-3-yloxy)phenyl]ethanamine?
1-[4-(oxolan-3-yloxy)phenyl]ethanamine has a molecular weight of 207.27 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(oxolan-3-yloxy)phenyl]ethanamine is sourced from PubChem (CID 63556855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).