2,5,5-trimethyl-2-[(3-methylphenyl)methyl]-1,3-oxazinane

C15H23NO — CID 117226801

IUPAC2,5,5-trimethyl-2-[(3-methylphenyl)methyl]-1,3-oxazinane
SMILESCc1cccc(CC2(C)NCC(C)(C)CO2)c1
InChIInChI=1S/C15H23NO/c1-12-6-5-7-13(8-12)9-15(4)16-10-14(2,3)11-17-15/h5-8,16H,9-11H2,1-4H3
InChIKeyFZEBVKXFMSPOET-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.90
Rot. Bonds2

About 2,5,5-trimethyl-2-[(3-methylphenyl)methyl]-1,3-oxazinane

2,5,5-trimethyl-2-[(3-methylphenyl)methyl]-1,3-oxazinane (PubChem CID 117226801) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 2,5,5-trimethyl-2-[(3-methylphenyl)methyl]-1,3-oxazinane.

Molecular Properties

Compound Name2,5,5-trimethyl-2-[(3-methylphenyl)methyl]-1,3-oxazinane
PubChem CID117226801
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name2,5,5-trimethyl-2-[(3-methylphenyl)methyl]-1,3-oxazinane
SMILESCc1cccc(CC2(C)NCC(C)(C)CO2)c1
InChIInChI=1S/C15H23NO/c1-12-6-5-7-13(8-12)9-15(4)16-10-14(2,3)11-17-15/h5-8,16H,9-11H2,1-4H3
InChIKeyFZEBVKXFMSPOET-UHFFFAOYSA-N
XLogP2.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,5,5-trimethyl-1,3-oxazinan-2-yl)methyl]phenol
CID 117226881
1-[(3-methylphenyl)methyl]cyclopropan-1-amine
CID 23106077
[4,4-dimethyl-1-[(3-methylphenyl)methyl]cyclohexyl]methanamine
CID 65390376
2,4,4-trimethyl-1-[(3-methylphenyl)methyl]cyclohexan-1-ol
CID 81314321
2,2,5,5-tetramethyl-3-[(3-methylphenyl)methyl]oxolan-3-ol
CID 79928455
4,4-dimethyl-1-[(3-methylphenyl)methyl]cycloheptan-1-ol
CID 65085894
2-[(3-bromophenyl)methyl]-2,5-dimethyl-1,3-oxazinane
CID 117227258
2-[2-methyl-2-[(3-methylphenyl)methyl]-1,3-dioxolan-4-yl]ethanol
CID 117169452
3-[(3-methylphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 63141083
3-(3-chlorophenyl)-3-[(3-methylphenyl)methyl]azetidine
CID 79460298
methyl 1-[(3-methylphenyl)methyl]cyclopropane-1-carboxylate
CID 116929872
5,5-dimethyl-2-(3-methylphenyl)-1,3-oxazinane
CID 117227011

Frequently Asked Questions

What is the IUPAC name of 2,5,5-trimethyl-2-[(3-methylphenyl)methyl]-1,3-oxazinane?
The IUPAC name of 2,5,5-trimethyl-2-[(3-methylphenyl)methyl]-1,3-oxazinane (CID 117226801) is 2,5,5-trimethyl-2-[(3-methylphenyl)methyl]-1,3-oxazinane.
What is the SMILES notation for 2,5,5-trimethyl-2-[(3-methylphenyl)methyl]-1,3-oxazinane?
The canonical SMILES for 2,5,5-trimethyl-2-[(3-methylphenyl)methyl]-1,3-oxazinane is Cc1cccc(CC2(C)NCC(C)(C)CO2)c1.
What is the InChIKey of 2,5,5-trimethyl-2-[(3-methylphenyl)methyl]-1,3-oxazinane?
The InChIKey is FZEBVKXFMSPOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12-6-5-7-13(8-12)9-15(4)16-10-14(2,3)11-17-15/h5-8,16H,9-11H2,1-4H3.
What are the key properties of 2,5,5-trimethyl-2-[(3-methylphenyl)methyl]-1,3-oxazinane?
2,5,5-trimethyl-2-[(3-methylphenyl)methyl]-1,3-oxazinane has a molecular weight of 233.36 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-trimethyl-2-[(3-methylphenyl)methyl]-1,3-oxazinane is sourced from PubChem (CID 117226801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).