2-bromo-N-methoxy-1-(3-phenoxyphenyl)ethanimine

C15H14BrNO2 — CID 87812948

IUPAC2-bromo-N-methoxy-1-(3-phenoxyphenyl)ethanimine
SMILESCON=C(CBr)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C15H14BrNO2/c1-18-17-15(11-16)12-6-5-9-14(10-12)19-13-7-3-2-4-8-13/h2-10H,11H2,1H3
InChIKeyGOYRKYHJSBRERL-UHFFFAOYSA-N
MW320.19 g/mol
LogP4.22
Rot. Bonds5

About 2-bromo-N-methoxy-1-(3-phenoxyphenyl)ethanimine

2-bromo-N-methoxy-1-(3-phenoxyphenyl)ethanimine (PubChem CID 87812948) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is 2-bromo-N-methoxy-1-(3-phenoxyphenyl)ethanimine.

Molecular Properties

Compound Name2-bromo-N-methoxy-1-(3-phenoxyphenyl)ethanimine
PubChem CID87812948
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC Name2-bromo-N-methoxy-1-(3-phenoxyphenyl)ethanimine
SMILESCON=C(CBr)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C15H14BrNO2/c1-18-17-15(11-16)12-6-5-9-14(10-12)19-13-7-3-2-4-8-13/h2-10H,11H2,1H3
InChIKeyGOYRKYHJSBRERL-UHFFFAOYSA-N
XLogP4.22
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 54.22
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-methoxy-1-(3-methoxyphenyl)propan-1-imine
CID 20642400
(Z)-N,N'-dimethoxy-1,4-diphenylbutane-1,4-diimine
CID 87328023
[3-[(Z)-C-(bromomethyl)-N-propoxycarbonimidoyl]phenyl] propane-1-sulfonate
CID 142688198
sodium 4-[(4-fluorophenyl)methyl]-1-[(2Z)-2-methoxyimino-2-(3-phenoxyphenyl)ethyl]pyrrole-3-carboxylate
CID 142695222
methyl (2E)-2-hydroxyimino-2-(3-phenoxyphenyl)acetate
CID 22344585
3-[(2Z)-2-(3-phenoxyphenyl)-2-propoxyiminoethoxy]benzoic acid
CID 87813061
4-[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenoxy]benzaldehyde
CID 87106577
[(2-bromo-1-phenylethylidene)amino] acetate
CID 86233217
1-[3-(bromomethyl)phenyl]-N-methoxy-1-phenylmethanimine
CID 87106056
1-(3-methoxyphenyl)-N-methyl-2-phenylethanimine
CID 130450692
2-(3-chlorophenyl)-2-methoxyiminoethanol
CID 54343986
ethane;phenoxybenzene;propane
CID 90923491

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-methoxy-1-(3-phenoxyphenyl)ethanimine?
The IUPAC name of 2-bromo-N-methoxy-1-(3-phenoxyphenyl)ethanimine (CID 87812948) is 2-bromo-N-methoxy-1-(3-phenoxyphenyl)ethanimine.
What is the SMILES notation for 2-bromo-N-methoxy-1-(3-phenoxyphenyl)ethanimine?
The canonical SMILES for 2-bromo-N-methoxy-1-(3-phenoxyphenyl)ethanimine is CON=C(CBr)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of 2-bromo-N-methoxy-1-(3-phenoxyphenyl)ethanimine?
The InChIKey is GOYRKYHJSBRERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2/c1-18-17-15(11-16)12-6-5-9-14(10-12)19-13-7-3-2-4-8-13/h2-10H,11H2,1H3.
What are the key properties of 2-bromo-N-methoxy-1-(3-phenoxyphenyl)ethanimine?
2-bromo-N-methoxy-1-(3-phenoxyphenyl)ethanimine has a molecular weight of 320.19 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-methoxy-1-(3-phenoxyphenyl)ethanimine is sourced from PubChem (CID 87812948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).