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

C14H20BrNO — CID 117227260

IUPAC2-[(3-bromophenyl)methyl]-2,5,5-trimethyl-1,3-oxazinane
SMILESCC1(C)CNC(C)(Cc2cccc(Br)c2)OC1
InChIInChI=1S/C14H20BrNO/c1-13(2)9-16-14(3,17-10-13)8-11-5-4-6-12(15)7-11/h4-7,16H,8-10H2,1-3H3
InChIKeyYZPDKMLADCAGFC-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.35
Rot. Bonds2

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

2-[(3-bromophenyl)methyl]-2,5,5-trimethyl-1,3-oxazinane (PubChem CID 117227260) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methyl]-2,5,5-trimethyl-1,3-oxazinane.

Molecular Properties

Compound Name2-[(3-bromophenyl)methyl]-2,5,5-trimethyl-1,3-oxazinane
PubChem CID117227260
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name2-[(3-bromophenyl)methyl]-2,5,5-trimethyl-1,3-oxazinane
SMILESCC1(C)CNC(C)(Cc2cccc(Br)c2)OC1
InChIInChI=1S/C14H20BrNO/c1-13(2)9-16-14(3,17-10-13)8-11-5-4-6-12(15)7-11/h4-7,16H,8-10H2,1-3H3
InChIKeyYZPDKMLADCAGFC-UHFFFAOYSA-N
XLogP3.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5,5-trimethyl-2-[(3-methylphenyl)methyl]-1,3-oxazinane
CID 117226801
2-[(3-bromophenyl)methyl]-2,5-dimethyl-1,3-oxazinane
CID 117227258
2-[(2,5,5-trimethyl-1,3-oxazinan-2-yl)methyl]phenol
CID 117226881
2-[(2-methoxyphenyl)methyl]-2,5,5-trimethyl-1,3-oxazinane
CID 117226883
3-[(3-bromophenyl)methyl]-3-ethylazetidine
CID 79451956
3-[(3-bromophenyl)methyl]oxetan-3-ol
CID 164643776
2-[(3-bromophenyl)methyl]-2-propan-2-ylpyrrolidine
CID 66468325
1-[(3-bromophenyl)methyl]-3-azabicyclo[3.1.0]hexane
CID 84804235
5,5-bis[(3-bromophenyl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 3947567
2-[(3-bromophenyl)methyl]-5,5-dimethyl-1,3-oxazolidine
CID 117228996
2-[(3-bromophenyl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
CID 115401415
1-bromo-3-[(1-propylcyclopropyl)methyl]benzene
CID 143267542

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methyl]-2,5,5-trimethyl-1,3-oxazinane?
The IUPAC name of 2-[(3-bromophenyl)methyl]-2,5,5-trimethyl-1,3-oxazinane (CID 117227260) is 2-[(3-bromophenyl)methyl]-2,5,5-trimethyl-1,3-oxazinane.
What is the SMILES notation for 2-[(3-bromophenyl)methyl]-2,5,5-trimethyl-1,3-oxazinane?
The canonical SMILES for 2-[(3-bromophenyl)methyl]-2,5,5-trimethyl-1,3-oxazinane is CC1(C)CNC(C)(Cc2cccc(Br)c2)OC1.
What is the InChIKey of 2-[(3-bromophenyl)methyl]-2,5,5-trimethyl-1,3-oxazinane?
The InChIKey is YZPDKMLADCAGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-13(2)9-16-14(3,17-10-13)8-11-5-4-6-12(15)7-11/h4-7,16H,8-10H2,1-3H3.
What are the key properties of 2-[(3-bromophenyl)methyl]-2,5,5-trimethyl-1,3-oxazinane?
2-[(3-bromophenyl)methyl]-2,5,5-trimethyl-1,3-oxazinane has a molecular weight of 298.22 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methyl]-2,5,5-trimethyl-1,3-oxazinane is sourced from PubChem (CID 117227260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).