3,4-dimethyl-2-phenylmorpholin-2-ol;hydrochloride

C12H18ClNO2 — CID 14415060

IUPAC3,4-dimethyl-2-phenylmorpholin-2-ol;hydrochloride
SMILESCC1N(C)CCOC1(O)c1ccccc1.Cl
InChIInChI=1S/C12H17NO2.ClH/c1-10-12(14,15-9-8-13(10)2)11-6-4-3-5-7-11;/h3-7,10,14H,8-9H2,1-2H3;1H
InChIKeyJXBDWUBNRBGJGA-UHFFFAOYSA-N
MW243.73 g/mol
LogP1.60
Rot. Bonds1

About 3,4-dimethyl-2-phenylmorpholin-2-ol;hydrochloride

3,4-dimethyl-2-phenylmorpholin-2-ol;hydrochloride (PubChem CID 14415060) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is 3,4-dimethyl-2-phenylmorpholin-2-ol;hydrochloride.

Molecular Properties

Compound Name3,4-dimethyl-2-phenylmorpholin-2-ol;hydrochloride
PubChem CID14415060
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name3,4-dimethyl-2-phenylmorpholin-2-ol;hydrochloride
SMILESCC1N(C)CCOC1(O)c1ccccc1.Cl
InChIInChI=1S/C12H17NO2.ClH/c1-10-12(14,15-9-8-13(10)2)11-6-4-3-5-7-11;/h3-7,10,14H,8-9H2,1-2H3;1H
InChIKeyJXBDWUBNRBGJGA-UHFFFAOYSA-N
XLogP1.60
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-2-phenylmorpholin-2-ol;hydrochloride?
The IUPAC name of 3,4-dimethyl-2-phenylmorpholin-2-ol;hydrochloride (CID 14415060) is 3,4-dimethyl-2-phenylmorpholin-2-ol;hydrochloride.
What is the SMILES notation for 3,4-dimethyl-2-phenylmorpholin-2-ol;hydrochloride?
The canonical SMILES for 3,4-dimethyl-2-phenylmorpholin-2-ol;hydrochloride is CC1N(C)CCOC1(O)c1ccccc1.Cl.
What is the InChIKey of 3,4-dimethyl-2-phenylmorpholin-2-ol;hydrochloride?
The InChIKey is JXBDWUBNRBGJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2.ClH/c1-10-12(14,15-9-8-13(10)2)11-6-4-3-5-7-11;/h3-7,10,14H,8-9H2,1-2H3;1H.
What are the key properties of 3,4-dimethyl-2-phenylmorpholin-2-ol;hydrochloride?
3,4-dimethyl-2-phenylmorpholin-2-ol;hydrochloride has a molecular weight of 243.73 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-2-phenylmorpholin-2-ol;hydrochloride is sourced from PubChem (CID 14415060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).