(E)-2-(3,4-dichlorophenyl)-1-N'-methoxyethene-1,1-diamine

C9H10Cl2N2O — CID 117058994

IUPAC(E)-2-(3,4-dichlorophenyl)-1-N'-methoxyethene-1,1-diamine
SMILESCON/C(N)=C/c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H10Cl2N2O/c1-14-13-9(12)5-6-2-3-7(10)8(11)4-6/h2-5,13H,12H2,1H3/b9-5+
InChIKeyVNJGCXZMFGQXJJ-WEVVVXLNSA-N
MW233.10 g/mol
LogP2.40
Rot. Bonds3

About (E)-2-(3,4-dichlorophenyl)-1-N'-methoxyethene-1,1-diamine

(E)-2-(3,4-dichlorophenyl)-1-N'-methoxyethene-1,1-diamine (PubChem CID 117058994) has the molecular formula C9H10Cl2N2O and a molecular weight of 233.10 g/mol. Its IUPAC name is (E)-2-(3,4-dichlorophenyl)-1-N'-methoxyethene-1,1-diamine.

Molecular Properties

Compound Name(E)-2-(3,4-dichlorophenyl)-1-N'-methoxyethene-1,1-diamine
PubChem CID117058994
Molecular FormulaC9H10Cl2N2O
Molecular Weight233.10 g/mol
Exact Mass232.02
IUPAC Name(E)-2-(3,4-dichlorophenyl)-1-N'-methoxyethene-1,1-diamine
SMILESCON/C(N)=C/c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H10Cl2N2O/c1-14-13-9(12)5-6-2-3-7(10)8(11)4-6/h2-5,13H,12H2,1H3/b9-5+
InChIKeyVNJGCXZMFGQXJJ-WEVVVXLNSA-N
XLogP2.40
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.10
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(3,4-dichlorophenyl)prop-2-enoic acid
CID 130167282
3-(3,4-dichlorophenyl)-2-methylprop-2-en-1-ol
CID 79335243
3-(3,4-dichlorophenyl)-2-methylprop-2-enal
CID 79331938
ethyl 3-(3,4-dichlorophenyl)-2-methylprop-2-enoate
CID 154114585
2-chloro-1-(3,4-dichlorophenyl)-N-methoxyprop-1-en-1-amine
CID 91162721
(E)-1-(3,4-dichlorophenyl)-N-methoxymethanimine
CID 53468142
1-cyano-2-(3,4-dichlorophenyl)-N-(4-methoxyphenyl)ethenesulfonamide
CID 68940089
(E)-2-(bromomethyl)-3-(3,4-dichlorophenyl)prop-2-enenitrile
CID 101407941
N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]ethanimidamide;hydrochloride
CID 23469591
1,2-dichloro-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 122615244
ethyl N-[(E)-(3,4-dichlorophenyl)methylideneamino]carbamate
CID 6861622
ethyl N-[(Z)-(3,4-dichlorophenyl)methylideneamino]carbamate
CID 5399198

Frequently Asked Questions

What is the IUPAC name of (E)-2-(3,4-dichlorophenyl)-1-N'-methoxyethene-1,1-diamine?
The IUPAC name of (E)-2-(3,4-dichlorophenyl)-1-N'-methoxyethene-1,1-diamine (CID 117058994) is (E)-2-(3,4-dichlorophenyl)-1-N'-methoxyethene-1,1-diamine.
What is the SMILES notation for (E)-2-(3,4-dichlorophenyl)-1-N'-methoxyethene-1,1-diamine?
The canonical SMILES for (E)-2-(3,4-dichlorophenyl)-1-N'-methoxyethene-1,1-diamine is CON/C(N)=C/c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (E)-2-(3,4-dichlorophenyl)-1-N'-methoxyethene-1,1-diamine?
The InChIKey is VNJGCXZMFGQXJJ-WEVVVXLNSA-N. The full InChI is InChI=1S/C9H10Cl2N2O/c1-14-13-9(12)5-6-2-3-7(10)8(11)4-6/h2-5,13H,12H2,1H3/b9-5+.
What are the key properties of (E)-2-(3,4-dichlorophenyl)-1-N'-methoxyethene-1,1-diamine?
(E)-2-(3,4-dichlorophenyl)-1-N'-methoxyethene-1,1-diamine has a molecular weight of 233.10 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(3,4-dichlorophenyl)-1-N'-methoxyethene-1,1-diamine is sourced from PubChem (CID 117058994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).