2,2-dimethyl-5-phenylmorpholine;hydrochloride

C12H18ClNO — CID 69283449

IUPAC2,2-dimethyl-5-phenylmorpholine;hydrochloride
SMILESCC1(C)CNC(c2ccccc2)CO1.Cl
InChIInChI=1S/C12H17NO.ClH/c1-12(2)9-13-11(8-14-12)10-6-4-3-5-7-10;/h3-7,11,13H,8-9H2,1-2H3;1H
InChIKeyJJQFYLXGWDUARF-UHFFFAOYSA-N
MW227.74 g/mol
LogP2.55
Rot. Bonds1

About 2,2-dimethyl-5-phenylmorpholine;hydrochloride

2,2-dimethyl-5-phenylmorpholine;hydrochloride (PubChem CID 69283449) has the molecular formula C12H18ClNO and a molecular weight of 227.74 g/mol. Its IUPAC name is 2,2-dimethyl-5-phenylmorpholine;hydrochloride.

Molecular Properties

Compound Name2,2-dimethyl-5-phenylmorpholine;hydrochloride
PubChem CID69283449
Molecular FormulaC12H18ClNO
Molecular Weight227.74 g/mol
Exact Mass227.11
IUPAC Name2,2-dimethyl-5-phenylmorpholine;hydrochloride
SMILESCC1(C)CNC(c2ccccc2)CO1.Cl
InChIInChI=1S/C12H17NO.ClH/c1-12(2)9-13-11(8-14-12)10-6-4-3-5-7-10;/h3-7,11,13H,8-9H2,1-2H3;1H
InChIKeyJJQFYLXGWDUARF-UHFFFAOYSA-N
XLogP2.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2-dimethyl-5-phenylmorpholine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-phenylmorpholine;hydrochloride?
The IUPAC name of 2,2-dimethyl-5-phenylmorpholine;hydrochloride (CID 69283449) is 2,2-dimethyl-5-phenylmorpholine;hydrochloride.
What is the SMILES notation for 2,2-dimethyl-5-phenylmorpholine;hydrochloride?
The canonical SMILES for 2,2-dimethyl-5-phenylmorpholine;hydrochloride is CC1(C)CNC(c2ccccc2)CO1.Cl.
What is the InChIKey of 2,2-dimethyl-5-phenylmorpholine;hydrochloride?
The InChIKey is JJQFYLXGWDUARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO.ClH/c1-12(2)9-13-11(8-14-12)10-6-4-3-5-7-10;/h3-7,11,13H,8-9H2,1-2H3;1H.
What are the key properties of 2,2-dimethyl-5-phenylmorpholine;hydrochloride?
2,2-dimethyl-5-phenylmorpholine;hydrochloride has a molecular weight of 227.74 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-phenylmorpholine;hydrochloride is sourced from PubChem (CID 69283449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).