1-methoxy-3-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]propan-2-ol

C15H23NO3 — CID 65455364

IUPAC1-methoxy-3-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]propan-2-ol
SMILESCNC1CCCc2c(OCC(O)COC)cccc21
InChIInChI=1S/C15H23NO3/c1-16-14-7-3-6-13-12(14)5-4-8-15(13)19-10-11(17)9-18-2/h4-5,8,11,14,16-17H,3,6-7,9-10H2,1-2H3
InChIKeyWVNRUKRALQMDIJ-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.67
Rot. Bonds6

About 1-methoxy-3-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]propan-2-ol

1-methoxy-3-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]propan-2-ol (PubChem CID 65455364) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 1-methoxy-3-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]propan-2-ol
PubChem CID65455364
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name1-methoxy-3-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]propan-2-ol
SMILESCNC1CCCc2c(OCC(O)COC)cccc21
InChIInChI=1S/C15H23NO3/c1-16-14-7-3-6-13-12(14)5-4-8-15(13)19-10-11(17)9-18-2/h4-5,8,11,14,16-17H,3,6-7,9-10H2,1-2H3
InChIKeyWVNRUKRALQMDIJ-UHFFFAOYSA-N
XLogP1.67
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]propan-2-ol?
The IUPAC name of 1-methoxy-3-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]propan-2-ol (CID 65455364) is 1-methoxy-3-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]propan-2-ol.
What is the SMILES notation for 1-methoxy-3-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]propan-2-ol?
The canonical SMILES for 1-methoxy-3-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]propan-2-ol is CNC1CCCc2c(OCC(O)COC)cccc21.
What is the InChIKey of 1-methoxy-3-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]propan-2-ol?
The InChIKey is WVNRUKRALQMDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-16-14-7-3-6-13-12(14)5-4-8-15(13)19-10-11(17)9-18-2/h4-5,8,11,14,16-17H,3,6-7,9-10H2,1-2H3.
What are the key properties of 1-methoxy-3-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]propan-2-ol?
1-methoxy-3-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]propan-2-ol has a molecular weight of 265.35 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]propan-2-ol is sourced from PubChem (CID 65455364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).