2,5-dimethyl-2-(3-methylphenyl)-1,3-oxazinane

C13H19NO — CID 117227009

IUPAC2,5-dimethyl-2-(3-methylphenyl)-1,3-oxazinane
SMILESCc1cccc(C2(C)NCC(C)CO2)c1
InChIInChI=1S/C13H19NO/c1-10-5-4-6-12(7-10)13(3)14-8-11(2)9-15-13/h4-7,11,14H,8-9H2,1-3H3
InChIKeySIOCBJAGUHGHSA-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.42
Rot. Bonds1

About 2,5-dimethyl-2-(3-methylphenyl)-1,3-oxazinane

2,5-dimethyl-2-(3-methylphenyl)-1,3-oxazinane (PubChem CID 117227009) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2,5-dimethyl-2-(3-methylphenyl)-1,3-oxazinane.

Molecular Properties

Compound Name2,5-dimethyl-2-(3-methylphenyl)-1,3-oxazinane
PubChem CID117227009
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2,5-dimethyl-2-(3-methylphenyl)-1,3-oxazinane
SMILESCc1cccc(C2(C)NCC(C)CO2)c1
InChIInChI=1S/C13H19NO/c1-10-5-4-6-12(7-10)13(3)14-8-11(2)9-15-13/h4-7,11,14H,8-9H2,1-3H3
InChIKeySIOCBJAGUHGHSA-UHFFFAOYSA-N
XLogP2.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,5-dimethyl-2-(3-methylphenyl)-1,3-oxazinane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,5-dimethyl-1,3-oxazinan-2-yl)phenol
CID 117227041
2-methyl-2-(3-methylphenyl)oxirane
CID 62774936
2-(3-fluorophenyl)-2,4-dimethyl-1,3-oxazolidine
CID 117228450
2-(3-chlorophenyl)-2,5-dimethyl-1,3-oxazolidine
CID 117229091
2-methyl-2-(3-methylphenyl)morpholine;hydrochloride
CID 121230111
2-(3-bromophenyl)-2,5-dimethyl-1,3-oxazolidine
CID 117229092
2-(3-bromophenyl)-2,4-dimethyl-1,3-oxazolidine
CID 117228454
4-fluoro-2-methyl-2-(3-methylphenyl)pyrrolidine;hydrochloride
CID 115037542
2-[(3-bromophenyl)methyl]-2,5-dimethyl-1,3-oxazinane
CID 117227258
3-fluoro-2-methyl-2-(3-methylphenyl)pyrrolidine;hydrochloride
CID 115037533
2-methyl-1-(3-methylphenyl)cyclopropan-1-ol
CID 79332542
3,5-dimethyl-1-(3-methylphenyl)cyclohexan-1-amine
CID 64751059

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-2-(3-methylphenyl)-1,3-oxazinane?
The IUPAC name of 2,5-dimethyl-2-(3-methylphenyl)-1,3-oxazinane (CID 117227009) is 2,5-dimethyl-2-(3-methylphenyl)-1,3-oxazinane.
What is the SMILES notation for 2,5-dimethyl-2-(3-methylphenyl)-1,3-oxazinane?
The canonical SMILES for 2,5-dimethyl-2-(3-methylphenyl)-1,3-oxazinane is Cc1cccc(C2(C)NCC(C)CO2)c1.
What is the InChIKey of 2,5-dimethyl-2-(3-methylphenyl)-1,3-oxazinane?
The InChIKey is SIOCBJAGUHGHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10-5-4-6-12(7-10)13(3)14-8-11(2)9-15-13/h4-7,11,14H,8-9H2,1-3H3.
What are the key properties of 2,5-dimethyl-2-(3-methylphenyl)-1,3-oxazinane?
2,5-dimethyl-2-(3-methylphenyl)-1,3-oxazinane has a molecular weight of 205.30 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-2-(3-methylphenyl)-1,3-oxazinane is sourced from PubChem (CID 117227009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).