2-(4-methylphenyl)-1-morpholin-4-ium-4-ylpropan-2-ol chloride

C14H22ClNO2 — CID 18778028

IUPAC2-(4-methylphenyl)-1-morpholin-4-ium-4-ylpropan-2-ol chloride
SMILESCc1ccc(C(C)(O)C[NH+]2CCOCC2)cc1.[Cl-]
InChIInChI=1S/C14H21NO2.ClH/c1-12-3-5-13(6-4-12)14(2,16)11-15-7-9-17-10-8-15;/h3-6,16H,7-11H2,1-2H3;1H
InChIKeyUMXSEPUXJKDOBP-UHFFFAOYSA-N
MW271.79 g/mol
LogP-2.88
Rot. Bonds3

About 2-(4-methylphenyl)-1-morpholin-4-ium-4-ylpropan-2-ol chloride

2-(4-methylphenyl)-1-morpholin-4-ium-4-ylpropan-2-ol chloride (PubChem CID 18778028) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1-morpholin-4-ium-4-ylpropan-2-ol chloride.

Molecular Properties

Compound Name2-(4-methylphenyl)-1-morpholin-4-ium-4-ylpropan-2-ol chloride
PubChem CID18778028
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Name2-(4-methylphenyl)-1-morpholin-4-ium-4-ylpropan-2-ol chloride
SMILESCc1ccc(C(C)(O)C[NH+]2CCOCC2)cc1.[Cl-]
InChIInChI=1S/C14H21NO2.ClH/c1-12-3-5-13(6-4-12)14(2,16)11-15-7-9-17-10-8-15;/h3-6,16H,7-11H2,1-2H3;1H
InChIKeyUMXSEPUXJKDOBP-UHFFFAOYSA-N
XLogP-2.88
TPSA33.90 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 5-2.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(4-methylphenyl)-1-morpholin-4-ium-4-ylpropan-2-ol chloride 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-methylphenyl)-1-morpholin-4-ium-4-ylpropan-2-ol chloride?
The IUPAC name of 2-(4-methylphenyl)-1-morpholin-4-ium-4-ylpropan-2-ol chloride (CID 18778028) is 2-(4-methylphenyl)-1-morpholin-4-ium-4-ylpropan-2-ol chloride.
What is the SMILES notation for 2-(4-methylphenyl)-1-morpholin-4-ium-4-ylpropan-2-ol chloride?
The canonical SMILES for 2-(4-methylphenyl)-1-morpholin-4-ium-4-ylpropan-2-ol chloride is Cc1ccc(C(C)(O)C[NH+]2CCOCC2)cc1.[Cl-].
What is the InChIKey of 2-(4-methylphenyl)-1-morpholin-4-ium-4-ylpropan-2-ol chloride?
The InChIKey is UMXSEPUXJKDOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2.ClH/c1-12-3-5-13(6-4-12)14(2,16)11-15-7-9-17-10-8-15;/h3-6,16H,7-11H2,1-2H3;1H.
What are the key properties of 2-(4-methylphenyl)-1-morpholin-4-ium-4-ylpropan-2-ol chloride?
2-(4-methylphenyl)-1-morpholin-4-ium-4-ylpropan-2-ol chloride has a molecular weight of 271.79 g/mol, XLogP of -2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1-morpholin-4-ium-4-ylpropan-2-ol chloride is sourced from PubChem (CID 18778028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).