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

C12H16BrNO — CID 117228996

IUPAC2-[(3-bromophenyl)methyl]-5,5-dimethyl-1,3-oxazolidine
SMILESCC1(C)CNC(Cc2cccc(Br)c2)O1
InChIInChI=1S/C12H16BrNO/c1-12(2)8-14-11(15-12)7-9-4-3-5-10(13)6-9/h3-6,11,14H,7-8H2,1-2H3
InChIKeyJXYWIRUNTHZFCV-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.72
Rot. Bonds2

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

2-[(3-bromophenyl)methyl]-5,5-dimethyl-1,3-oxazolidine (PubChem CID 117228996) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methyl]-5,5-dimethyl-1,3-oxazolidine.

Molecular Properties

Compound Name2-[(3-bromophenyl)methyl]-5,5-dimethyl-1,3-oxazolidine
PubChem CID117228996
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name2-[(3-bromophenyl)methyl]-5,5-dimethyl-1,3-oxazolidine
SMILESCC1(C)CNC(Cc2cccc(Br)c2)O1
InChIInChI=1S/C12H16BrNO/c1-12(2)8-14-11(15-12)7-9-4-3-5-10(13)6-9/h3-6,11,14H,7-8H2,1-2H3
InChIKeyJXYWIRUNTHZFCV-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3-bromophenyl)methyl]-3-fluoro-3-methylpiperidine
CID 115052324
3-[(3-bromophenyl)methyl]azetidine;hydrochloride
CID 137347061
N-[(3-bromophenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine
CID 28674695
2-[(3-bromophenyl)methyl]-2,5,5-trimethyl-1,3-oxazinane
CID 117227260
1-[(3-bromophenyl)methyl]-3-azabicyclo[3.1.0]hexane
CID 84804235
2-benzyl-1-oxa-3-azaspiro[4.4]nonane
CID 82184395
3-[(3-bromophenyl)methyl]-3-ethylazetidine
CID 79451956
2-[(3-bromophenyl)methyl]-2,5-dimethyl-1,3-oxazinane
CID 117227258
5-[2-(bromomethyl)-3-(3-bromophenyl)propyl]-2,2-dimethyloxolane
CID 116525233
1-bromo-3-[2-bromo-2-(2,2-dimethylcyclopropyl)ethyl]benzene
CID 107003144
methyl 4-[(3-bromophenyl)methyl]pyrrolidine-2-carboxylate
CID 117270163
1-bromo-3-[(3-chloro-2,2-dimethylcyclobutyl)oxymethyl]benzene
CID 82825989

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methyl]-5,5-dimethyl-1,3-oxazolidine?
The IUPAC name of 2-[(3-bromophenyl)methyl]-5,5-dimethyl-1,3-oxazolidine (CID 117228996) is 2-[(3-bromophenyl)methyl]-5,5-dimethyl-1,3-oxazolidine.
What is the SMILES notation for 2-[(3-bromophenyl)methyl]-5,5-dimethyl-1,3-oxazolidine?
The canonical SMILES for 2-[(3-bromophenyl)methyl]-5,5-dimethyl-1,3-oxazolidine is CC1(C)CNC(Cc2cccc(Br)c2)O1.
What is the InChIKey of 2-[(3-bromophenyl)methyl]-5,5-dimethyl-1,3-oxazolidine?
The InChIKey is JXYWIRUNTHZFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-12(2)8-14-11(15-12)7-9-4-3-5-10(13)6-9/h3-6,11,14H,7-8H2,1-2H3.
What are the key properties of 2-[(3-bromophenyl)methyl]-5,5-dimethyl-1,3-oxazolidine?
2-[(3-bromophenyl)methyl]-5,5-dimethyl-1,3-oxazolidine has a molecular weight of 270.17 g/mol, XLogP of 2.72, 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]-5,5-dimethyl-1,3-oxazolidine is sourced from PubChem (CID 117228996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).