2,4-dimethyl-2-[4-(2-methylpropyl)phenyl]morpholine;hydrochloride

C16H26ClNO — CID 3066077

IUPAC2,4-dimethyl-2-[4-(2-methylpropyl)phenyl]morpholine;hydrochloride
SMILESCC(C)Cc1ccc(C2(C)CN(C)CCO2)cc1.Cl
InChIInChI=1S/C16H25NO.ClH/c1-13(2)11-14-5-7-15(8-6-14)16(3)12-17(4)9-10-18-16;/h5-8,13H,9-12H2,1-4H3;1H
InChIKeyZYCINQLITQCXLL-UHFFFAOYSA-N
MW283.84 g/mol
LogP3.48
Rot. Bonds3

About 2,4-dimethyl-2-[4-(2-methylpropyl)phenyl]morpholine;hydrochloride

2,4-dimethyl-2-[4-(2-methylpropyl)phenyl]morpholine;hydrochloride (PubChem CID 3066077) has the molecular formula C16H26ClNO and a molecular weight of 283.84 g/mol. Its IUPAC name is 2,4-dimethyl-2-[4-(2-methylpropyl)phenyl]morpholine;hydrochloride.

Molecular Properties

Compound Name2,4-dimethyl-2-[4-(2-methylpropyl)phenyl]morpholine;hydrochloride
PubChem CID3066077
Molecular FormulaC16H26ClNO
Molecular Weight283.84 g/mol
Exact Mass283.17
IUPAC Name2,4-dimethyl-2-[4-(2-methylpropyl)phenyl]morpholine;hydrochloride
SMILESCC(C)Cc1ccc(C2(C)CN(C)CCO2)cc1.Cl
InChIInChI=1S/C16H25NO.ClH/c1-13(2)11-14-5-7-15(8-6-14)16(3)12-17(4)9-10-18-16;/h5-8,13H,9-12H2,1-4H3;1H
InChIKeyZYCINQLITQCXLL-UHFFFAOYSA-N
XLogP3.48
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.84
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,4-dimethyl-2-[4-(2-methylpropyl)phenyl]morpholine;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 2,4-dimethyl-2-[4-(2-methylpropyl)phenyl]morpholine;hydrochloride?
The IUPAC name of 2,4-dimethyl-2-[4-(2-methylpropyl)phenyl]morpholine;hydrochloride (CID 3066077) is 2,4-dimethyl-2-[4-(2-methylpropyl)phenyl]morpholine;hydrochloride.
What is the SMILES notation for 2,4-dimethyl-2-[4-(2-methylpropyl)phenyl]morpholine;hydrochloride?
The canonical SMILES for 2,4-dimethyl-2-[4-(2-methylpropyl)phenyl]morpholine;hydrochloride is CC(C)Cc1ccc(C2(C)CN(C)CCO2)cc1.Cl.
What is the InChIKey of 2,4-dimethyl-2-[4-(2-methylpropyl)phenyl]morpholine;hydrochloride?
The InChIKey is ZYCINQLITQCXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO.ClH/c1-13(2)11-14-5-7-15(8-6-14)16(3)12-17(4)9-10-18-16;/h5-8,13H,9-12H2,1-4H3;1H.
What are the key properties of 2,4-dimethyl-2-[4-(2-methylpropyl)phenyl]morpholine;hydrochloride?
2,4-dimethyl-2-[4-(2-methylpropyl)phenyl]morpholine;hydrochloride has a molecular weight of 283.84 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2-[4-(2-methylpropyl)phenyl]morpholine;hydrochloride is sourced from PubChem (CID 3066077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).