2-methyl-2-(3-methylphenyl)morpholine;hydrochloride

C12H18ClNO — CID 121230111

IUPAC2-methyl-2-(3-methylphenyl)morpholine;hydrochloride
SMILESCc1cccc(C2(C)CNCCO2)c1.Cl
InChIInChI=1S/C12H17NO.ClH/c1-10-4-3-5-11(8-10)12(2)9-13-6-7-14-12;/h3-5,8,13H,6-7,9H2,1-2H3;1H
InChIKeyXNCGZNPSRGQSKY-UHFFFAOYSA-N
MW227.73 g/mol
LogP2.25
Rot. Bonds1

About 2-methyl-2-(3-methylphenyl)morpholine;hydrochloride

2-methyl-2-(3-methylphenyl)morpholine;hydrochloride (PubChem CID 121230111) has the molecular formula C12H18ClNO and a molecular weight of 227.73 g/mol. Its IUPAC name is 2-methyl-2-(3-methylphenyl)morpholine;hydrochloride.

Molecular Properties

Compound Name2-methyl-2-(3-methylphenyl)morpholine;hydrochloride
PubChem CID121230111
Molecular FormulaC12H18ClNO
Molecular Weight227.73 g/mol
Exact Mass227.11
IUPAC Name2-methyl-2-(3-methylphenyl)morpholine;hydrochloride
SMILESCc1cccc(C2(C)CNCCO2)c1.Cl
InChIInChI=1S/C12H17NO.ClH/c1-10-4-3-5-11(8-10)12(2)9-13-6-7-14-12;/h3-5,8,13H,6-7,9H2,1-2H3;1H
InChIKeyXNCGZNPSRGQSKY-UHFFFAOYSA-N
XLogP2.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.73
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(3-methylphenyl)morpholine;hydrochloride?
The IUPAC name of 2-methyl-2-(3-methylphenyl)morpholine;hydrochloride (CID 121230111) is 2-methyl-2-(3-methylphenyl)morpholine;hydrochloride.
What is the SMILES notation for 2-methyl-2-(3-methylphenyl)morpholine;hydrochloride?
The canonical SMILES for 2-methyl-2-(3-methylphenyl)morpholine;hydrochloride is Cc1cccc(C2(C)CNCCO2)c1.Cl.
What is the InChIKey of 2-methyl-2-(3-methylphenyl)morpholine;hydrochloride?
The InChIKey is XNCGZNPSRGQSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO.ClH/c1-10-4-3-5-11(8-10)12(2)9-13-6-7-14-12;/h3-5,8,13H,6-7,9H2,1-2H3;1H.
What are the key properties of 2-methyl-2-(3-methylphenyl)morpholine;hydrochloride?
2-methyl-2-(3-methylphenyl)morpholine;hydrochloride has a molecular weight of 227.73 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3-methylphenyl)morpholine;hydrochloride is sourced from PubChem (CID 121230111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).