1-(2,4-dichlorophenyl)-N-(2,2-diethoxyethyl)methanimine

C13H17Cl2NO2 — CID 170944157

IUPAC1-(2,4-dichlorophenyl)-N-(2,2-diethoxyethyl)methanimine
SMILESCCOC(C/N=C/c1ccc(Cl)cc1Cl)OCC
InChIInChI=1S/C13H17Cl2NO2/c1-3-17-13(18-4-2)9-16-8-10-5-6-11(14)7-12(10)15/h5-8,13H,3-4,9H2,1-2H3/b16-8+
InChIKeyFDGBNPDDARSJRC-LZYBPNLTSA-N
MW290.19 g/mol
LogP3.81
Rot. Bonds7

About 1-(2,4-dichlorophenyl)-N-(2,2-diethoxyethyl)methanimine

1-(2,4-dichlorophenyl)-N-(2,2-diethoxyethyl)methanimine (PubChem CID 170944157) has the molecular formula C13H17Cl2NO2 and a molecular weight of 290.19 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-(2,2-diethoxyethyl)methanimine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-(2,2-diethoxyethyl)methanimine
PubChem CID170944157
Molecular FormulaC13H17Cl2NO2
Molecular Weight290.19 g/mol
Exact Mass289.06
IUPAC Name1-(2,4-dichlorophenyl)-N-(2,2-diethoxyethyl)methanimine
SMILESCCOC(C/N=C/c1ccc(Cl)cc1Cl)OCC
InChIInChI=1S/C13H17Cl2NO2/c1-3-17-13(18-4-2)9-16-8-10-5-6-11(14)7-12(10)15/h5-8,13H,3-4,9H2,1-2H3/b16-8+
InChIKeyFDGBNPDDARSJRC-LZYBPNLTSA-N
XLogP3.81
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dichlorophenyl)-N-[2-[(2,4-dichlorophenyl)methylideneamino]propyl]methanimine
CID 2835360
1-(2,4-dichlorophenyl)-N-pent-2-ynylmethanimine
CID 18915507
1-(3,5-dichlorophenyl)-N-(2,2-diethoxyethyl)methanimine;2,2-diethoxyethanamine
CID 159812705
2,4-dichloro-N-(2,2-diethoxyethyl)aniline
CID 81093226
ethyl 2-[(E)-(2,4-dichlorophenyl)methylideneamino]oxyacetate
CID 173365405
N-[(2,4-dichlorophenyl)methylideneamino]methanamine
CID 67650124
1-(2,4-dichlorophenyl)-N-nonan-2-ylmethanimine
CID 139757285
(E)-1-(2,4-dichlorophenyl)-N-prop-2-enoxymethanimine
CID 173365422
2-[(2,4-dichlorophenyl)methylideneamino]oxy-N-pentan-3-ylacetamide
CID 2436771
N-[2-(3-chloro-2-methylphenyl)ethyl]-1-(2,4-dichlorophenyl)methanimine
CID 14599842
1-[(Z)-but-1-enyl]-2,4-dichlorobenzene
CID 67080245
3-(2,4-dichlorophenyl)-1,1-diethoxy-N-ethylpropan-2-amine
CID 79495499

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-(2,2-diethoxyethyl)methanimine?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-(2,2-diethoxyethyl)methanimine (CID 170944157) is 1-(2,4-dichlorophenyl)-N-(2,2-diethoxyethyl)methanimine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-(2,2-diethoxyethyl)methanimine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-(2,2-diethoxyethyl)methanimine is CCOC(C/N=C/c1ccc(Cl)cc1Cl)OCC.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-(2,2-diethoxyethyl)methanimine?
The InChIKey is FDGBNPDDARSJRC-LZYBPNLTSA-N. The full InChI is InChI=1S/C13H17Cl2NO2/c1-3-17-13(18-4-2)9-16-8-10-5-6-11(14)7-12(10)15/h5-8,13H,3-4,9H2,1-2H3/b16-8+.
What are the key properties of 1-(2,4-dichlorophenyl)-N-(2,2-diethoxyethyl)methanimine?
1-(2,4-dichlorophenyl)-N-(2,2-diethoxyethyl)methanimine has a molecular weight of 290.19 g/mol, XLogP of 3.81, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-(2,2-diethoxyethyl)methanimine is sourced from PubChem (CID 170944157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).