5-(bromomethyl)-N-(4-methoxyphenyl)oxolan-2-imine

C12H14BrNO2 — CID 11623353

IUPAC5-(bromomethyl)-N-(4-methoxyphenyl)oxolan-2-imine
SMILESCOc1ccc(/N=C2\CCC(CBr)O2)cc1
InChIInChI=1S/C12H14BrNO2/c1-15-10-4-2-9(3-5-10)14-12-7-6-11(8-13)16-12/h2-5,11H,6-8H2,1H3/b14-12+
InChIKeyOGWZPMQRROBSDV-WYMLVPIESA-N
MW284.15 g/mol
LogP3.30
Rot. Bonds3

About 5-(bromomethyl)-N-(4-methoxyphenyl)oxolan-2-imine

5-(bromomethyl)-N-(4-methoxyphenyl)oxolan-2-imine (PubChem CID 11623353) has the molecular formula C12H14BrNO2 and a molecular weight of 284.15 g/mol. Its IUPAC name is 5-(bromomethyl)-N-(4-methoxyphenyl)oxolan-2-imine.

Molecular Properties

Compound Name5-(bromomethyl)-N-(4-methoxyphenyl)oxolan-2-imine
PubChem CID11623353
Molecular FormulaC12H14BrNO2
Molecular Weight284.15 g/mol
Exact Mass283.02
IUPAC Name5-(bromomethyl)-N-(4-methoxyphenyl)oxolan-2-imine
SMILESCOc1ccc(/N=C2\CCC(CBr)O2)cc1
InChIInChI=1S/C12H14BrNO2/c1-15-10-4-2-9(3-5-10)14-12-7-6-11(8-13)16-12/h2-5,11H,6-8H2,1H3/b14-12+
InChIKeyOGWZPMQRROBSDV-WYMLVPIESA-N
XLogP3.30
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(5R)-5-(bromomethyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 99994013
N-(4-methoxyphenyl)-2,6-dimethylcyclohexan-1-imine
CID 19962585
(5S)-5-[(4-methoxyphenyl)methyl]oxolan-2-one
CID 129394807
3-(bromomethyl)-6-methoxy-2,3-dihydro-1,4-benzodioxine
CID 10658909
N-(4-methoxyphenyl)-5-(phenoxymethyl)-1,3-oxathiolan-2-imine
CID 122379603
[4-(3-bromopropoxy)phenyl]-(4-methoxyphenyl)diazene
CID 86177503
cyclopropyl-(4-methoxyphenyl)-propylsulfanium
CID 23331543
N-(4-methoxyphenyl)-1,3-dimethyl-1,3-diazinan-2-imine
CID 171055873
(4-methoxyphenyl)-methyldiazene
CID 20589170
ethane;methyl N-(4-methoxyphenyl)methanimidothioate
CID 143173626
2-(4-methoxyphenyl)-6,8-dimethyl-3,4-dihydro-2H-chromene
CID 151506862
3-(bromomethyl)-3-(4-methoxyphenyl)-4,4-dimethyldioxetane
CID 86149517

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-N-(4-methoxyphenyl)oxolan-2-imine?
The IUPAC name of 5-(bromomethyl)-N-(4-methoxyphenyl)oxolan-2-imine (CID 11623353) is 5-(bromomethyl)-N-(4-methoxyphenyl)oxolan-2-imine.
What is the SMILES notation for 5-(bromomethyl)-N-(4-methoxyphenyl)oxolan-2-imine?
The canonical SMILES for 5-(bromomethyl)-N-(4-methoxyphenyl)oxolan-2-imine is COc1ccc(/N=C2\CCC(CBr)O2)cc1.
What is the InChIKey of 5-(bromomethyl)-N-(4-methoxyphenyl)oxolan-2-imine?
The InChIKey is OGWZPMQRROBSDV-WYMLVPIESA-N. The full InChI is InChI=1S/C12H14BrNO2/c1-15-10-4-2-9(3-5-10)14-12-7-6-11(8-13)16-12/h2-5,11H,6-8H2,1H3/b14-12+.
What are the key properties of 5-(bromomethyl)-N-(4-methoxyphenyl)oxolan-2-imine?
5-(bromomethyl)-N-(4-methoxyphenyl)oxolan-2-imine has a molecular weight of 284.15 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-N-(4-methoxyphenyl)oxolan-2-imine is sourced from PubChem (CID 11623353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).