N-methoxy-2-phenylethanimidoyl bromide

C9H10BrNO — CID 165358038

IUPACN-methoxy-2-phenylethanimidoyl bromide
SMILESCON=C(Br)Cc1ccccc1
InChIInChI=1S/C9H10BrNO/c1-12-11-9(10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyJXADJXYGSCZMSF-UHFFFAOYSA-N
MW228.09 g/mol
LogP2.58
Rot. Bonds3

About N-methoxy-2-phenylethanimidoyl bromide

N-methoxy-2-phenylethanimidoyl bromide (PubChem CID 165358038) has the molecular formula C9H10BrNO and a molecular weight of 228.09 g/mol. Its IUPAC name is N-methoxy-2-phenylethanimidoyl bromide.

Molecular Properties

Compound NameN-methoxy-2-phenylethanimidoyl bromide
PubChem CID165358038
Molecular FormulaC9H10BrNO
Molecular Weight228.09 g/mol
Exact Mass226.99
IUPAC NameN-methoxy-2-phenylethanimidoyl bromide
SMILESCON=C(Br)Cc1ccccc1
InChIInChI=1S/C9H10BrNO/c1-12-11-9(10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyJXADJXYGSCZMSF-UHFFFAOYSA-N
XLogP2.58
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methoxyimino-3-phenylpropanamide
CID 139885002
(E)-N-methoxy-1-(4-methoxyphenyl)-2-phenylethanimine
CID 21473328
[(Z)-2,3-dibromo-4-phenylbut-2-enyl]benzene
CID 98512768
O-methyl 2-phenylethaneselenoate
CID 15646646
1-[3-(bromomethyl)phenyl]-N-methoxy-1-phenylmethanimine
CID 87106056
(1-methoxy-2-phenylethylidene)azanium chloride
CID 44725554
CID 172801156
CID 172801156
(Z)-N,N'-dimethoxy-1,4-diphenylbutane-1,4-diimine
CID 87328023
2-(1,3-diphenylpropan-2-ylideneamino)oxyacetic acid
CID 12642600
tris(2-phenylacetic acid);rhodium
CID 11168112
2-phenylacetic acid;silver
CID 50912513
copper 2-phenylacetic acid
CID 54609410

Frequently Asked Questions

What is the IUPAC name of N-methoxy-2-phenylethanimidoyl bromide?
The IUPAC name of N-methoxy-2-phenylethanimidoyl bromide (CID 165358038) is N-methoxy-2-phenylethanimidoyl bromide.
What is the SMILES notation for N-methoxy-2-phenylethanimidoyl bromide?
The canonical SMILES for N-methoxy-2-phenylethanimidoyl bromide is CON=C(Br)Cc1ccccc1.
What is the InChIKey of N-methoxy-2-phenylethanimidoyl bromide?
The InChIKey is JXADJXYGSCZMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO/c1-12-11-9(10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3.
What are the key properties of N-methoxy-2-phenylethanimidoyl bromide?
N-methoxy-2-phenylethanimidoyl bromide has a molecular weight of 228.09 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-2-phenylethanimidoyl bromide is sourced from PubChem (CID 165358038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).