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

C15H23NO3 — CID 117417565

IUPAC3-[2-methoxy-3-(oxan-3-yloxy)phenyl]propan-1-amine
SMILESCOc1c(CCCN)cccc1OC1CCCOC1
InChIInChI=1S/C15H23NO3/c1-17-15-12(6-3-9-16)5-2-8-14(15)19-13-7-4-10-18-11-13/h2,5,8,13H,3-4,6-7,9-11,16H2,1H3
InChIKeyGHSXXXXQHNSZHZ-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.14
Rot. Bonds6

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

3-[2-methoxy-3-(oxan-3-yloxy)phenyl]propan-1-amine (PubChem CID 117417565) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-[2-methoxy-3-(oxan-3-yloxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name3-[2-methoxy-3-(oxan-3-yloxy)phenyl]propan-1-amine
PubChem CID117417565
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-[2-methoxy-3-(oxan-3-yloxy)phenyl]propan-1-amine
SMILESCOc1c(CCCN)cccc1OC1CCCOC1
InChIInChI=1S/C15H23NO3/c1-17-15-12(6-3-9-16)5-2-8-14(15)19-13-7-4-10-18-11-13/h2,5,8,13H,3-4,6-7,9-11,16H2,1H3
InChIKeyGHSXXXXQHNSZHZ-UHFFFAOYSA-N
XLogP2.14
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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

4-[2-methoxy-3-(oxan-3-yloxy)phenyl]butanoic acid
CID 117474860
[2-methoxy-3-(oxan-3-yloxy)phenyl]methanol
CID 84700687
[2-methoxy-3-(oxolan-3-yloxy)phenyl]methanol
CID 84689080
1-[2-methoxy-3-(oxolan-3-yloxy)phenyl]-2-methylpropan-2-amine
CID 117417898
3-naphthalen-1-yloxyoxane
CID 107137916
2-methoxy-3-(oxan-3-yloxy)benzoic acid
CID 115005205
1-[3-methoxy-2-(oxan-3-yloxy)phenyl]propan-2-amine
CID 107137119
1-[2-methoxy-3-(oxolan-3-yloxy)phenyl]propan-2-ol
CID 115005698
[1-[3-methoxy-2-(oxan-3-yloxy)phenyl]cyclopropyl]methanamine
CID 117444480
1-[3-methoxy-2-(oxan-3-yloxy)phenyl]propan-2-ol
CID 115005747
3-[2-(chloromethyl)phenoxy]oxane
CID 107135119
3-[3-methoxy-2-(thian-4-yloxy)phenyl]propan-1-amine
CID 117451966

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxy-3-(oxan-3-yloxy)phenyl]propan-1-amine?
The IUPAC name of 3-[2-methoxy-3-(oxan-3-yloxy)phenyl]propan-1-amine (CID 117417565) is 3-[2-methoxy-3-(oxan-3-yloxy)phenyl]propan-1-amine.
What is the SMILES notation for 3-[2-methoxy-3-(oxan-3-yloxy)phenyl]propan-1-amine?
The canonical SMILES for 3-[2-methoxy-3-(oxan-3-yloxy)phenyl]propan-1-amine is COc1c(CCCN)cccc1OC1CCCOC1.
What is the InChIKey of 3-[2-methoxy-3-(oxan-3-yloxy)phenyl]propan-1-amine?
The InChIKey is GHSXXXXQHNSZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-17-15-12(6-3-9-16)5-2-8-14(15)19-13-7-4-10-18-11-13/h2,5,8,13H,3-4,6-7,9-11,16H2,1H3.
What are the key properties of 3-[2-methoxy-3-(oxan-3-yloxy)phenyl]propan-1-amine?
3-[2-methoxy-3-(oxan-3-yloxy)phenyl]propan-1-amine has a molecular weight of 265.35 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxy-3-(oxan-3-yloxy)phenyl]propan-1-amine is sourced from PubChem (CID 117417565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).