4,4-dimethyl-2-[(2-methylphenyl)methyl]-1,3-oxazolidine

C13H19NO — CID 117228287

IUPAC4,4-dimethyl-2-[(2-methylphenyl)methyl]-1,3-oxazolidine
SMILESCc1ccccc1CC1NC(C)(C)CO1
InChIInChI=1S/C13H19NO/c1-10-6-4-5-7-11(10)8-12-14-13(2,3)9-15-12/h4-7,12,14H,8-9H2,1-3H3
InChIKeyBTQFNQRUDZIUAP-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.26
Rot. Bonds2

About 4,4-dimethyl-2-[(2-methylphenyl)methyl]-1,3-oxazolidine

4,4-dimethyl-2-[(2-methylphenyl)methyl]-1,3-oxazolidine (PubChem CID 117228287) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 4,4-dimethyl-2-[(2-methylphenyl)methyl]-1,3-oxazolidine.

Molecular Properties

Compound Name4,4-dimethyl-2-[(2-methylphenyl)methyl]-1,3-oxazolidine
PubChem CID117228287
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name4,4-dimethyl-2-[(2-methylphenyl)methyl]-1,3-oxazolidine
SMILESCc1ccccc1CC1NC(C)(C)CO1
InChIInChI=1S/C13H19NO/c1-10-6-4-5-7-11(10)8-12-14-13(2,3)9-15-12/h4-7,12,14H,8-9H2,1-3H3
InChIKeyBTQFNQRUDZIUAP-UHFFFAOYSA-N
XLogP2.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-dimethyl-2-(2-methylphenyl)-1,3-oxazolidine;hydrochloride
CID 117228480
2-[(2-methylphenyl)methyl]-1,3-oxazinane
CID 117226029
2-[(2-fluorophenyl)methyl]-5,5-dimethylmorpholine
CID 82287155
2,5,5-trimethyl-2-[(2-methylphenyl)methyl]-1,3-oxazinane;hydrochloride
CID 117226848
(2S)-2-[(2-methylphenyl)methyl]pyrrolidin-1-ium
CID 7022791
(2S,3S)-5,5-dimethyl-2,3-diphenylmorpholine
CID 10539775
5-methyl-5-[(2-methylphenyl)methoxy]-2-propan-2-yl-1,3-dioxane
CID 20536213
4-[(2-methylphenyl)methyl]-1,3-oxazolidin-2-one
CID 117158894
(2R)-2-[(2-methylphenyl)methyl]pyrrolidine
CID 7047857
1-methyl-2-[(2-methylcyclobutyl)methyl]benzene
CID 163743067
5-[(2,5-dimethylphenyl)methyl]-3,3-dimethylmorpholine
CID 116817401
5-methyl-5-[(2-methylphenyl)methyl]-1,3-oxazolidin-2-one
CID 117158984

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[(2-methylphenyl)methyl]-1,3-oxazolidine?
The IUPAC name of 4,4-dimethyl-2-[(2-methylphenyl)methyl]-1,3-oxazolidine (CID 117228287) is 4,4-dimethyl-2-[(2-methylphenyl)methyl]-1,3-oxazolidine.
What is the SMILES notation for 4,4-dimethyl-2-[(2-methylphenyl)methyl]-1,3-oxazolidine?
The canonical SMILES for 4,4-dimethyl-2-[(2-methylphenyl)methyl]-1,3-oxazolidine is Cc1ccccc1CC1NC(C)(C)CO1.
What is the InChIKey of 4,4-dimethyl-2-[(2-methylphenyl)methyl]-1,3-oxazolidine?
The InChIKey is BTQFNQRUDZIUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10-6-4-5-7-11(10)8-12-14-13(2,3)9-15-12/h4-7,12,14H,8-9H2,1-3H3.
What are the key properties of 4,4-dimethyl-2-[(2-methylphenyl)methyl]-1,3-oxazolidine?
4,4-dimethyl-2-[(2-methylphenyl)methyl]-1,3-oxazolidine has a molecular weight of 205.30 g/mol, XLogP of 2.26, 2 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)methyl]-1,3-oxazolidine is sourced from PubChem (CID 117228287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).