4,4-dimethyl-2-(2-methylphenyl)-1,3-oxazolidine;hydrochloride

C12H18ClNO — CID 117228480

IUPAC4,4-dimethyl-2-(2-methylphenyl)-1,3-oxazolidine;hydrochloride
SMILESCc1ccccc1C1NC(C)(C)CO1.Cl
InChIInChI=1S/C12H17NO.ClH/c1-9-6-4-5-7-10(9)11-13-12(2,3)8-14-11;/h4-7,11,13H,8H2,1-3H3;1H
InChIKeyFFCKJJRXQQSCRA-UHFFFAOYSA-N
MW227.74 g/mol
LogP2.81
Rot. Bonds1

About 4,4-dimethyl-2-(2-methylphenyl)-1,3-oxazolidine;hydrochloride

4,4-dimethyl-2-(2-methylphenyl)-1,3-oxazolidine;hydrochloride (PubChem CID 117228480) has the molecular formula C12H18ClNO and a molecular weight of 227.74 g/mol. Its IUPAC name is 4,4-dimethyl-2-(2-methylphenyl)-1,3-oxazolidine;hydrochloride.

Molecular Properties

Compound Name4,4-dimethyl-2-(2-methylphenyl)-1,3-oxazolidine;hydrochloride
PubChem CID117228480
Molecular FormulaC12H18ClNO
Molecular Weight227.74 g/mol
Exact Mass227.11
IUPAC Name4,4-dimethyl-2-(2-methylphenyl)-1,3-oxazolidine;hydrochloride
SMILESCc1ccccc1C1NC(C)(C)CO1.Cl
InChIInChI=1S/C12H17NO.ClH/c1-9-6-4-5-7-10(9)11-13-12(2,3)8-14-11;/h4-7,11,13H,8H2,1-3H3;1H
InChIKeyFFCKJJRXQQSCRA-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,4-dimethyl-2-(2-methylphenyl)-1,3-oxazolidine;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 4,4-dimethyl-2-(2-methylphenyl)-1,3-oxazolidine;hydrochloride?
The IUPAC name of 4,4-dimethyl-2-(2-methylphenyl)-1,3-oxazolidine;hydrochloride (CID 117228480) is 4,4-dimethyl-2-(2-methylphenyl)-1,3-oxazolidine;hydrochloride.
What is the SMILES notation for 4,4-dimethyl-2-(2-methylphenyl)-1,3-oxazolidine;hydrochloride?
The canonical SMILES for 4,4-dimethyl-2-(2-methylphenyl)-1,3-oxazolidine;hydrochloride is Cc1ccccc1C1NC(C)(C)CO1.Cl.
What is the InChIKey of 4,4-dimethyl-2-(2-methylphenyl)-1,3-oxazolidine;hydrochloride?
The InChIKey is FFCKJJRXQQSCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO.ClH/c1-9-6-4-5-7-10(9)11-13-12(2,3)8-14-11;/h4-7,11,13H,8H2,1-3H3;1H.
What are the key properties of 4,4-dimethyl-2-(2-methylphenyl)-1,3-oxazolidine;hydrochloride?
4,4-dimethyl-2-(2-methylphenyl)-1,3-oxazolidine;hydrochloride has a molecular weight of 227.74 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(2-methylphenyl)-1,3-oxazolidine;hydrochloride is sourced from PubChem (CID 117228480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).