(E)-2-bromo-N-phenylmethoxyethanimine

C9H10BrNO — CID 53381097

IUPAC(E)-2-bromo-N-phenylmethoxyethanimine
SMILESBrC/C=N/OCc1ccccc1
InChIInChI=1S/C9H10BrNO/c10-6-7-11-12-8-9-4-2-1-3-5-9/h1-5,7H,6,8H2/b11-7+
InChIKeyCCZAQCVIERVNAW-YRNVUSSQSA-N
MW228.09 g/mol
LogP2.58
Rot. Bonds4

About (E)-2-bromo-N-phenylmethoxyethanimine

(E)-2-bromo-N-phenylmethoxyethanimine (PubChem CID 53381097) has the molecular formula C9H10BrNO and a molecular weight of 228.09 g/mol. Its IUPAC name is (E)-2-bromo-N-phenylmethoxyethanimine.

Molecular Properties

Compound Name(E)-2-bromo-N-phenylmethoxyethanimine
PubChem CID53381097
Molecular FormulaC9H10BrNO
Molecular Weight228.09 g/mol
Exact Mass226.99
IUPAC Name(E)-2-bromo-N-phenylmethoxyethanimine
SMILESBrC/C=N/OCc1ccccc1
InChIInChI=1S/C9H10BrNO/c10-6-7-11-12-8-9-4-2-1-3-5-9/h1-5,7H,6,8H2/b11-7+
InChIKeyCCZAQCVIERVNAW-YRNVUSSQSA-N
XLogP2.58
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.09
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)-2,2,2-trichloro-N-phenylmethoxyethanimine
CID 11807168
(6E)-6-phenylmethoxyiminohexanal
CID 14120171
(4E)-4-phenylmethoxyiminobutan-2-one
CID 58674288
2-phenylmethoxyiminoacetaldehyde
CID 56611193
(E)-N-phenylmethoxyheptan-1-imine
CID 88959136
N-[[4-[(benzylideneamino)oxymethyl]phenyl]methoxy]-1-phenylmethanimine
CID 2457580
(E)-N-phenylmethoxy-1-[5-[(E)-phenylmethoxyiminomethyl]furan-2-yl]methanimine
CID 130381597
(2E)-2-phenylmethoxyiminoacetyl chloride
CID 135240017
3-phenyl-N-phenylmethoxyprop-2-en-1-imine
CID 75740750
2-ethyl-4-phenylmethoxyiminobutanenitrile
CID 118511405
N-phenylmethoxymethanimine
CID 561610
(Z)-3-diethoxyphosphoryl-N-phenylmethoxypropan-1-imine
CID 102508862

Frequently Asked Questions

What is the IUPAC name of (E)-2-bromo-N-phenylmethoxyethanimine?
The IUPAC name of (E)-2-bromo-N-phenylmethoxyethanimine (CID 53381097) is (E)-2-bromo-N-phenylmethoxyethanimine.
What is the SMILES notation for (E)-2-bromo-N-phenylmethoxyethanimine?
The canonical SMILES for (E)-2-bromo-N-phenylmethoxyethanimine is BrC/C=N/OCc1ccccc1.
What is the InChIKey of (E)-2-bromo-N-phenylmethoxyethanimine?
The InChIKey is CCZAQCVIERVNAW-YRNVUSSQSA-N. The full InChI is InChI=1S/C9H10BrNO/c10-6-7-11-12-8-9-4-2-1-3-5-9/h1-5,7H,6,8H2/b11-7+.
What are the key properties of (E)-2-bromo-N-phenylmethoxyethanimine?
(E)-2-bromo-N-phenylmethoxyethanimine has a molecular weight of 228.09 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-bromo-N-phenylmethoxyethanimine is sourced from PubChem (CID 53381097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).