(1R)-1-[3-[(3R)-oxolan-3-yl]oxyphenyl]ethanamine

C12H17NO2 — CID 67021938

IUPAC(1R)-1-[3-[(3R)-oxolan-3-yl]oxyphenyl]ethanamine
SMILESC[C@@H](N)c1cccc(O[C@@H]2CCOC2)c1
InChIInChI=1S/C12H17NO2/c1-9(13)10-3-2-4-11(7-10)15-12-5-6-14-8-12/h2-4,7,9,12H,5-6,8,13H2,1H3/t9-,12-/m1/s1
InChIKeyWYEGOXMUKQRGGH-BXKDBHETSA-N
MW207.27 g/mol
LogP1.87
Rot. Bonds3

About (1R)-1-[3-[(3R)-oxolan-3-yl]oxyphenyl]ethanamine

(1R)-1-[3-[(3R)-oxolan-3-yl]oxyphenyl]ethanamine (PubChem CID 67021938) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (1R)-1-[3-[(3R)-oxolan-3-yl]oxyphenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-[(3R)-oxolan-3-yl]oxyphenyl]ethanamine
PubChem CID67021938
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(1R)-1-[3-[(3R)-oxolan-3-yl]oxyphenyl]ethanamine
SMILESC[C@@H](N)c1cccc(O[C@@H]2CCOC2)c1
InChIInChI=1S/C12H17NO2/c1-9(13)10-3-2-4-11(7-10)15-12-5-6-14-8-12/h2-4,7,9,12H,5-6,8,13H2,1H3/t9-,12-/m1/s1
InChIKeyWYEGOXMUKQRGGH-BXKDBHETSA-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

1-[4-(oxolan-3-yloxy)phenyl]ethanamine
CID 63556855
(1S)-1-[4-(oxolan-3-yloxy)phenyl]ethanamine;hydrochloride
CID 175741673
4-(3-propan-2-ylphenoxy)oxane
CID 126724587
1-[3-(oxan-4-yloxy)phenyl]ethanol
CID 63935830
(1R)-1-[3-(oxan-4-yloxy)phenyl]ethanol
CID 78955112
1-[3-(3,4-dimethylcyclohexyl)oxyphenyl]ethanamine
CID 64740732
(1R)-1-[3-bromo-4-(oxolan-3-yloxy)phenyl]ethanamine
CID 78945077
(1R)-1-[3-fluoro-4-(oxolan-3-yloxy)phenyl]ethanamine
CID 63558652
(3S)-3-(4-propan-2-ylphenoxy)oxolane
CID 59112216
2-[3-(oxan-4-yloxy)phenyl]propanoic acid
CID 115005001
(3S)-3-(3-methoxy-5-propan-2-ylphenoxy)oxolane
CID 59511891
(3R)-3-(3-methoxy-5-propan-2-ylphenoxy)oxolane
CID 59511904

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-[(3R)-oxolan-3-yl]oxyphenyl]ethanamine?
The IUPAC name of (1R)-1-[3-[(3R)-oxolan-3-yl]oxyphenyl]ethanamine (CID 67021938) is (1R)-1-[3-[(3R)-oxolan-3-yl]oxyphenyl]ethanamine.
What is the SMILES notation for (1R)-1-[3-[(3R)-oxolan-3-yl]oxyphenyl]ethanamine?
The canonical SMILES for (1R)-1-[3-[(3R)-oxolan-3-yl]oxyphenyl]ethanamine is C[C@@H](N)c1cccc(O[C@@H]2CCOC2)c1.
What is the InChIKey of (1R)-1-[3-[(3R)-oxolan-3-yl]oxyphenyl]ethanamine?
The InChIKey is WYEGOXMUKQRGGH-BXKDBHETSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9(13)10-3-2-4-11(7-10)15-12-5-6-14-8-12/h2-4,7,9,12H,5-6,8,13H2,1H3/t9-,12-/m1/s1.
What are the key properties of (1R)-1-[3-[(3R)-oxolan-3-yl]oxyphenyl]ethanamine?
(1R)-1-[3-[(3R)-oxolan-3-yl]oxyphenyl]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 (1R)-1-[3-[(3R)-oxolan-3-yl]oxyphenyl]ethanamine is sourced from PubChem (CID 67021938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).