1-[4-methoxy-2-(oxan-3-yloxy)phenyl]propan-2-amine

C15H23NO3 — CID 107137128

IUPAC1-[4-methoxy-2-(oxan-3-yloxy)phenyl]propan-2-amine
SMILESCOc1ccc(CC(C)N)c(OC2CCCOC2)c1
InChIInChI=1S/C15H23NO3/c1-11(16)8-12-5-6-13(17-2)9-15(12)19-14-4-3-7-18-10-14/h5-6,9,11,14H,3-4,7-8,10,16H2,1-2H3
InChIKeyQHDUDHXXSXYXRO-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.14
Rot. Bonds5

About 1-[4-methoxy-2-(oxan-3-yloxy)phenyl]propan-2-amine

1-[4-methoxy-2-(oxan-3-yloxy)phenyl]propan-2-amine (PubChem CID 107137128) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 1-[4-methoxy-2-(oxan-3-yloxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-methoxy-2-(oxan-3-yloxy)phenyl]propan-2-amine
PubChem CID107137128
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name1-[4-methoxy-2-(oxan-3-yloxy)phenyl]propan-2-amine
SMILESCOc1ccc(CC(C)N)c(OC2CCCOC2)c1
InChIInChI=1S/C15H23NO3/c1-11(16)8-12-5-6-13(17-2)9-15(12)19-14-4-3-7-18-10-14/h5-6,9,11,14H,3-4,7-8,10,16H2,1-2H3
InChIKeyQHDUDHXXSXYXRO-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-[2-(oxan-3-yloxy)-4-propoxyphenyl]propan-2-amine
CID 107137097
N-ethyl-1-[4-methoxy-2-(oxan-3-yloxy)phenyl]ethanamine
CID 107134501
1-[3-methoxy-2-(oxan-3-yloxy)phenyl]propan-2-amine
CID 107137119
1-(2-cyclohex-2-en-1-yloxy-4-methoxyphenyl)propan-2-amine
CID 114620682
1-[5-methoxy-2-(oxolan-3-yloxy)phenyl]butan-2-amine
CID 63563631
1-[4-methoxy-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine
CID 62385912
(1S)-1-[3-methoxy-4-(oxan-3-yloxy)phenyl]ethanamine
CID 107134434
2-[2-(oxan-3-yloxy)-4-propoxyphenyl]ethanamine
CID 107137083
1-(2-butan-2-yloxy-4-methoxyphenyl)propan-2-amine
CID 61269298
2-[4-methoxy-3-(oxan-3-yloxy)phenyl]propan-1-amine
CID 117417571
(3R)-3-[4-(2-methylpropyl)phenoxy]oxane
CID 178142322
1-(6-cyclopentyloxy-1,3-benzodioxol-5-yl)propan-2-amine
CID 55012870

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-2-(oxan-3-yloxy)phenyl]propan-2-amine?
The IUPAC name of 1-[4-methoxy-2-(oxan-3-yloxy)phenyl]propan-2-amine (CID 107137128) is 1-[4-methoxy-2-(oxan-3-yloxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[4-methoxy-2-(oxan-3-yloxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[4-methoxy-2-(oxan-3-yloxy)phenyl]propan-2-amine is COc1ccc(CC(C)N)c(OC2CCCOC2)c1.
What is the InChIKey of 1-[4-methoxy-2-(oxan-3-yloxy)phenyl]propan-2-amine?
The InChIKey is QHDUDHXXSXYXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11(16)8-12-5-6-13(17-2)9-15(12)19-14-4-3-7-18-10-14/h5-6,9,11,14H,3-4,7-8,10,16H2,1-2H3.
What are the key properties of 1-[4-methoxy-2-(oxan-3-yloxy)phenyl]propan-2-amine?
1-[4-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-[4-methoxy-2-(oxan-3-yloxy)phenyl]propan-2-amine is sourced from PubChem (CID 107137128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).