4-methyl-2-(4-methylphenyl)morpholine;hydrochloride

C12H18ClNO — CID 3024959

IUPAC4-methyl-2-(4-methylphenyl)morpholine;hydrochloride
SMILESCc1ccc(C2CN(C)CCO2)cc1.Cl
InChIInChI=1S/C12H17NO.ClH/c1-10-3-5-11(6-4-10)12-9-13(2)7-8-14-12;/h3-6,12H,7-9H2,1-2H3;1H
InChIKeyGHXOJCLZLUGZBJ-UHFFFAOYSA-N
MW227.74 g/mol
LogP2.42
Rot. Bonds1

About 4-methyl-2-(4-methylphenyl)morpholine;hydrochloride

4-methyl-2-(4-methylphenyl)morpholine;hydrochloride (PubChem CID 3024959) has the molecular formula C12H18ClNO and a molecular weight of 227.74 g/mol. Its IUPAC name is 4-methyl-2-(4-methylphenyl)morpholine;hydrochloride.

Molecular Properties

Compound Name4-methyl-2-(4-methylphenyl)morpholine;hydrochloride
PubChem CID3024959
Molecular FormulaC12H18ClNO
Molecular Weight227.74 g/mol
Exact Mass227.11
IUPAC Name4-methyl-2-(4-methylphenyl)morpholine;hydrochloride
SMILESCc1ccc(C2CN(C)CCO2)cc1.Cl
InChIInChI=1S/C12H17NO.ClH/c1-10-3-5-11(6-4-10)12-9-13(2)7-8-14-12;/h3-6,12H,7-9H2,1-2H3;1H
InChIKeyGHXOJCLZLUGZBJ-UHFFFAOYSA-N
XLogP2.42
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-methylphenyl)morpholine;hydrochloride?
The IUPAC name of 4-methyl-2-(4-methylphenyl)morpholine;hydrochloride (CID 3024959) is 4-methyl-2-(4-methylphenyl)morpholine;hydrochloride.
What is the SMILES notation for 4-methyl-2-(4-methylphenyl)morpholine;hydrochloride?
The canonical SMILES for 4-methyl-2-(4-methylphenyl)morpholine;hydrochloride is Cc1ccc(C2CN(C)CCO2)cc1.Cl.
What is the InChIKey of 4-methyl-2-(4-methylphenyl)morpholine;hydrochloride?
The InChIKey is GHXOJCLZLUGZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO.ClH/c1-10-3-5-11(6-4-10)12-9-13(2)7-8-14-12;/h3-6,12H,7-9H2,1-2H3;1H.
What are the key properties of 4-methyl-2-(4-methylphenyl)morpholine;hydrochloride?
4-methyl-2-(4-methylphenyl)morpholine;hydrochloride has a molecular weight of 227.74 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-methylphenyl)morpholine;hydrochloride is sourced from PubChem (CID 3024959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).