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

C13H18BrNO — CID 117227258

IUPAC2-[(3-bromophenyl)methyl]-2,5-dimethyl-1,3-oxazinane
SMILESCC1CNC(C)(Cc2cccc(Br)c2)OC1
InChIInChI=1S/C13H18BrNO/c1-10-8-15-13(2,16-9-10)7-11-4-3-5-12(14)6-11/h3-6,10,15H,7-9H2,1-2H3
InChIKeyJGQQFHXYMAMOGJ-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.96
Rot. Bonds2

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

2-[(3-bromophenyl)methyl]-2,5-dimethyl-1,3-oxazinane (PubChem CID 117227258) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methyl]-2,5-dimethyl-1,3-oxazinane.

Molecular Properties

Compound Name2-[(3-bromophenyl)methyl]-2,5-dimethyl-1,3-oxazinane
PubChem CID117227258
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name2-[(3-bromophenyl)methyl]-2,5-dimethyl-1,3-oxazinane
SMILESCC1CNC(C)(Cc2cccc(Br)c2)OC1
InChIInChI=1S/C13H18BrNO/c1-10-8-15-13(2,16-9-10)7-11-4-3-5-12(14)6-11/h3-6,10,15H,7-9H2,1-2H3
InChIKeyJGQQFHXYMAMOGJ-UHFFFAOYSA-N
XLogP2.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-bromophenyl)methyl]-2,5,5-trimethyl-1,3-oxazinane
CID 117227260
2-ethyl-2,5-dimethyl-1,3-oxazinane
CID 117226941
1-[(3-bromophenyl)methyl]-4-methylcyclohexan-1-amine
CID 60799051
2-[2-[(3-bromophenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]ethanol
CID 117169464
2-[2-[(3-bromophenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]acetonitrile
CID 117169515
2-[(3-bromophenyl)methyl]-2-propan-2-ylpyrrolidine
CID 66468325
1-[(3-bromophenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 64776203
3-[(3-bromophenyl)methyl]-3-chlorothietane
CID 123511123
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
6-[(3-bromophenyl)methyl]bicyclo[3.1.0]hexan-6-ol
CID 79331771
3-[(3-bromophenyl)methyl]-3-ethylazetidine
CID 79451956

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methyl]-2,5-dimethyl-1,3-oxazinane?
The IUPAC name of 2-[(3-bromophenyl)methyl]-2,5-dimethyl-1,3-oxazinane (CID 117227258) is 2-[(3-bromophenyl)methyl]-2,5-dimethyl-1,3-oxazinane.
What is the SMILES notation for 2-[(3-bromophenyl)methyl]-2,5-dimethyl-1,3-oxazinane?
The canonical SMILES for 2-[(3-bromophenyl)methyl]-2,5-dimethyl-1,3-oxazinane is CC1CNC(C)(Cc2cccc(Br)c2)OC1.
What is the InChIKey of 2-[(3-bromophenyl)methyl]-2,5-dimethyl-1,3-oxazinane?
The InChIKey is JGQQFHXYMAMOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-10-8-15-13(2,16-9-10)7-11-4-3-5-12(14)6-11/h3-6,10,15H,7-9H2,1-2H3.
What are the key properties of 2-[(3-bromophenyl)methyl]-2,5-dimethyl-1,3-oxazinane?
2-[(3-bromophenyl)methyl]-2,5-dimethyl-1,3-oxazinane has a molecular weight of 284.20 g/mol, XLogP of 2.96, 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-dimethyl-1,3-oxazinane is sourced from PubChem (CID 117227258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).