1-[3-methoxy-2-(oxan-3-yloxy)phenyl]propan-2-amine

C15H23NO3 — CID 107137119

IUPAC1-[3-methoxy-2-(oxan-3-yloxy)phenyl]propan-2-amine
SMILESCOc1cccc(CC(C)N)c1OC1CCCOC1
InChIInChI=1S/C15H23NO3/c1-11(16)9-12-5-3-7-14(17-2)15(12)19-13-6-4-8-18-10-13/h3,5,7,11,13H,4,6,8-10,16H2,1-2H3
InChIKeyRRMOVWHETOIPES-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.14
Rot. Bonds5

About 1-[3-methoxy-2-(oxan-3-yloxy)phenyl]propan-2-amine

1-[3-methoxy-2-(oxan-3-yloxy)phenyl]propan-2-amine (PubChem CID 107137119) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 1-[3-methoxy-2-(oxan-3-yloxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-methoxy-2-(oxan-3-yloxy)phenyl]propan-2-amine
PubChem CID107137119
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name1-[3-methoxy-2-(oxan-3-yloxy)phenyl]propan-2-amine
SMILESCOc1cccc(CC(C)N)c1OC1CCCOC1
InChIInChI=1S/C15H23NO3/c1-11(16)9-12-5-3-7-14(17-2)15(12)19-13-6-4-8-18-10-13/h3,5,7,11,13H,4,6,8-10,16H2,1-2H3
InChIKeyRRMOVWHETOIPES-UHFFFAOYSA-N
XLogP2.14
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

1-[3-methoxy-2-(oxan-3-yloxy)phenyl]propan-2-ol
CID 115005747
1-[4-methoxy-2-(oxan-3-yloxy)phenyl]propan-2-amine
CID 107137128
[1-[3-methoxy-2-(oxan-3-yloxy)phenyl]cyclopropyl]methanamine
CID 117444480
[3-methoxy-2-(oxolan-3-yloxy)phenyl]methanol
CID 63558981
1-[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]propan-2-amine
CID 60907628
1-(2-cyclopentyloxy-3-ethoxyphenyl)propan-2-amine
CID 54929333
[2-methoxy-3-(oxan-3-yloxy)phenyl]methanol
CID 84700687
3-[2-methoxy-3-(oxan-3-yloxy)phenyl]propan-1-amine
CID 117417565
1-[2-methoxy-3-(oxolan-3-yloxy)phenyl]propan-2-ol
CID 115005698
2-amino-2-[3-methoxy-2-(oxolan-3-yloxy)phenyl]ethanol
CID 115005257
(2-cyclopentyloxy-3-methoxyphenyl)methanamine
CID 43471488
3-[3-methoxy-2-(oxolan-3-yloxy)phenyl]butan-1-amine
CID 117417553

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-2-(oxan-3-yloxy)phenyl]propan-2-amine?
The IUPAC name of 1-[3-methoxy-2-(oxan-3-yloxy)phenyl]propan-2-amine (CID 107137119) is 1-[3-methoxy-2-(oxan-3-yloxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-methoxy-2-(oxan-3-yloxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[3-methoxy-2-(oxan-3-yloxy)phenyl]propan-2-amine is COc1cccc(CC(C)N)c1OC1CCCOC1.
What is the InChIKey of 1-[3-methoxy-2-(oxan-3-yloxy)phenyl]propan-2-amine?
The InChIKey is RRMOVWHETOIPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11(16)9-12-5-3-7-14(17-2)15(12)19-13-6-4-8-18-10-13/h3,5,7,11,13H,4,6,8-10,16H2,1-2H3.
What are the key properties of 1-[3-methoxy-2-(oxan-3-yloxy)phenyl]propan-2-amine?
1-[3-methoxy-2-(oxan-3-yloxy)phenyl]propan-2-amine has a molecular weight of 265.35 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-2-(oxan-3-yloxy)phenyl]propan-2-amine is sourced from PubChem (CID 107137119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).