2-(6-methoxynaphthalen-2-yl)-3,5,5-trimethylmorpholine;hydrochloride

C18H24ClNO2 — CID 141261152

IUPAC2-(6-methoxynaphthalen-2-yl)-3,5,5-trimethylmorpholine;hydrochloride
SMILESCOc1ccc2cc(C3OCC(C)(C)NC3C)ccc2c1.Cl
InChIInChI=1S/C18H23NO2.ClH/c1-12-17(21-11-18(2,3)19-12)15-6-5-14-10-16(20-4)8-7-13(14)9-15;/h5-10,12,17,19H,11H2,1-4H3;1H
InChIKeyJJOOFUXHBZWDAZ-UHFFFAOYSA-N
MW321.85 g/mol
LogP4.10
Rot. Bonds2

About 2-(6-methoxynaphthalen-2-yl)-3,5,5-trimethylmorpholine;hydrochloride

2-(6-methoxynaphthalen-2-yl)-3,5,5-trimethylmorpholine;hydrochloride (PubChem CID 141261152) has the molecular formula C18H24ClNO2 and a molecular weight of 321.85 g/mol. Its IUPAC name is 2-(6-methoxynaphthalen-2-yl)-3,5,5-trimethylmorpholine;hydrochloride.

Molecular Properties

Compound Name2-(6-methoxynaphthalen-2-yl)-3,5,5-trimethylmorpholine;hydrochloride
PubChem CID141261152
Molecular FormulaC18H24ClNO2
Molecular Weight321.85 g/mol
Exact Mass321.15
IUPAC Name2-(6-methoxynaphthalen-2-yl)-3,5,5-trimethylmorpholine;hydrochloride
SMILESCOc1ccc2cc(C3OCC(C)(C)NC3C)ccc2c1.Cl
InChIInChI=1S/C18H23NO2.ClH/c1-12-17(21-11-18(2,3)19-12)15-6-5-14-10-16(20-4)8-7-13(14)9-15;/h5-10,12,17,19H,11H2,1-4H3;1H
InChIKeyJJOOFUXHBZWDAZ-UHFFFAOYSA-N
XLogP4.10
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.85
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxynaphthalen-2-yl)-3,5,5-trimethylmorpholine;hydrochloride?
The IUPAC name of 2-(6-methoxynaphthalen-2-yl)-3,5,5-trimethylmorpholine;hydrochloride (CID 141261152) is 2-(6-methoxynaphthalen-2-yl)-3,5,5-trimethylmorpholine;hydrochloride.
What is the SMILES notation for 2-(6-methoxynaphthalen-2-yl)-3,5,5-trimethylmorpholine;hydrochloride?
The canonical SMILES for 2-(6-methoxynaphthalen-2-yl)-3,5,5-trimethylmorpholine;hydrochloride is COc1ccc2cc(C3OCC(C)(C)NC3C)ccc2c1.Cl.
What is the InChIKey of 2-(6-methoxynaphthalen-2-yl)-3,5,5-trimethylmorpholine;hydrochloride?
The InChIKey is JJOOFUXHBZWDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2.ClH/c1-12-17(21-11-18(2,3)19-12)15-6-5-14-10-16(20-4)8-7-13(14)9-15;/h5-10,12,17,19H,11H2,1-4H3;1H.
What are the key properties of 2-(6-methoxynaphthalen-2-yl)-3,5,5-trimethylmorpholine;hydrochloride?
2-(6-methoxynaphthalen-2-yl)-3,5,5-trimethylmorpholine;hydrochloride has a molecular weight of 321.85 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxynaphthalen-2-yl)-3,5,5-trimethylmorpholine;hydrochloride is sourced from PubChem (CID 141261152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).