2-bromo-1-(4-chlorophenyl)-N-methoxyethenamine

C9H9BrClNO — CID 57227799

IUPAC2-bromo-1-(4-chlorophenyl)-N-methoxyethenamine
SMILESCONC(=CBr)c1ccc(Cl)cc1
InChIInChI=1S/C9H9BrClNO/c1-13-12-9(6-10)7-2-4-8(11)5-3-7/h2-6,12H,1H3
InChIKeyFGEOEMDLQWTCRR-UHFFFAOYSA-N
MW262.53 g/mol
LogP3.18
Rot. Bonds3

About 2-bromo-1-(4-chlorophenyl)-N-methoxyethenamine

2-bromo-1-(4-chlorophenyl)-N-methoxyethenamine (PubChem CID 57227799) has the molecular formula C9H9BrClNO and a molecular weight of 262.53 g/mol. Its IUPAC name is 2-bromo-1-(4-chlorophenyl)-N-methoxyethenamine.

Molecular Properties

Compound Name2-bromo-1-(4-chlorophenyl)-N-methoxyethenamine
PubChem CID57227799
Molecular FormulaC9H9BrClNO
Molecular Weight262.53 g/mol
Exact Mass260.96
IUPAC Name2-bromo-1-(4-chlorophenyl)-N-methoxyethenamine
SMILESCONC(=CBr)c1ccc(Cl)cc1
InChIInChI=1S/C9H9BrClNO/c1-13-12-9(6-10)7-2-4-8(11)5-3-7/h2-6,12H,1H3
InChIKeyFGEOEMDLQWTCRR-UHFFFAOYSA-N
XLogP3.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.53
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-bromo-1-(4-chlorophenyl)-N-methoxyethenamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(4-Chlorophenyl)methyl](methoxy)amine
CID 12482322
1-[4-chloro-3-(trifluoromethyl)phenyl]-N-methoxyethenamine
CID 56977854
1-(3-chloro-4-fluorophenyl)-N-methoxyethenamine
CID 57049882
1-(4-chloro-3-fluorophenyl)-N-methoxyethenamine
CID 57065375
1-(2-chloro-4-fluorophenyl)-N-methoxyethenamine
CID 57087609
1-(4-chloro-3-fluorophenyl)-N-(1-methylcyclopropyl)oxyethenamine
CID 89143257
1-(4-chloro-3-fluorophenyl)-N-methoxymethanamine
CID 82707282
1-(4-chloro-2-fluorophenyl)-N-methoxymethanamine
CID 114842559
1-(4-chlorophenyl)-N-ethenoxymethanamine
CID 23559792
4-chloro-N-methoxy-1-phenylbut-1-en-1-amine
CID 56626015
N-[1-(4-chlorophenyl)ethenylamino]oxyacetamide
CID 56990726
1-(4-chlorophenyl)-N-[2-(dimethylamino)ethoxy]ethenamine
CID 57017294

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(4-chlorophenyl)-N-methoxyethenamine?
The IUPAC name of 2-bromo-1-(4-chlorophenyl)-N-methoxyethenamine (CID 57227799) is 2-bromo-1-(4-chlorophenyl)-N-methoxyethenamine.
What is the SMILES notation for 2-bromo-1-(4-chlorophenyl)-N-methoxyethenamine?
The canonical SMILES for 2-bromo-1-(4-chlorophenyl)-N-methoxyethenamine is CONC(=CBr)c1ccc(Cl)cc1.
What is the InChIKey of 2-bromo-1-(4-chlorophenyl)-N-methoxyethenamine?
The InChIKey is FGEOEMDLQWTCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClNO/c1-13-12-9(6-10)7-2-4-8(11)5-3-7/h2-6,12H,1H3.
What are the key properties of 2-bromo-1-(4-chlorophenyl)-N-methoxyethenamine?
2-bromo-1-(4-chlorophenyl)-N-methoxyethenamine has a molecular weight of 262.53 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(4-chlorophenyl)-N-methoxyethenamine is sourced from PubChem (CID 57227799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).