1-(2,4-dichlorophenyl)-N-methoxyethenamine

C9H9Cl2NO — CID 57036763

IUPAC1-(2,4-dichlorophenyl)-N-methoxyethenamine
SMILESC=C(NOC)c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H9Cl2NO/c1-6(12-13-2)8-4-3-7(10)5-9(8)11/h3-5,12H,1H2,2H3
InChIKeyZKMYLUVLHIHDBY-UHFFFAOYSA-N
MW218.08 g/mol
LogP3.12
Rot. Bonds3

About 1-(2,4-dichlorophenyl)-N-methoxyethenamine

1-(2,4-dichlorophenyl)-N-methoxyethenamine (PubChem CID 57036763) has the molecular formula C9H9Cl2NO and a molecular weight of 218.08 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-methoxyethenamine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-methoxyethenamine
PubChem CID57036763
Molecular FormulaC9H9Cl2NO
Molecular Weight218.08 g/mol
Exact Mass217.01
IUPAC Name1-(2,4-dichlorophenyl)-N-methoxyethenamine
SMILESC=C(NOC)c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H9Cl2NO/c1-6(12-13-2)8-4-3-7(10)5-9(8)11/h3-5,12H,1H2,2H3
InChIKeyZKMYLUVLHIHDBY-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.08
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methoxy-1-(2,4,6-trichlorophenyl)propan-2-amine
CID 58443683
N-(2,4-Dichlorobenzyl)hydroxylamine hydrochloride
CID 53441010
[(2-Chlorophenyl)methyl](methoxy)amine hydrochloride
CID 119031737
[(4-Chlorophenyl)methyl](methoxy)amine
CID 12482322
[(2-Chlorophenyl)methyl](methoxy)amine
CID 13192618
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
N-[2-(2,4-dichlorophenyl)-1-fluoromethyl-ethyl]-O-methyl-hydroxylamine
CID 86679075
1-(4-chloro-3-fluorophenyl)-N-(1-methylcyclopropyl)oxyethenamine
CID 89143257
3-fluoro-N-methoxy-1-(2,4,6-trichlorophenyl)prop-1-en-2-amine
CID 123338382

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-methoxyethenamine?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-methoxyethenamine (CID 57036763) is 1-(2,4-dichlorophenyl)-N-methoxyethenamine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-methoxyethenamine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-methoxyethenamine is C=C(NOC)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-methoxyethenamine?
The InChIKey is ZKMYLUVLHIHDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO/c1-6(12-13-2)8-4-3-7(10)5-9(8)11/h3-5,12H,1H2,2H3.
What are the key properties of 1-(2,4-dichlorophenyl)-N-methoxyethenamine?
1-(2,4-dichlorophenyl)-N-methoxyethenamine has a molecular weight of 218.08 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-methoxyethenamine is sourced from PubChem (CID 57036763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).