1-(2,4-dichlorophenyl)-N-[2-[(2,4-dichlorophenyl)methylideneamino]propyl]methanimine

C17H14Cl4N2 — CID 2835360

IUPAC1-(2,4-dichlorophenyl)-N-[2-[(2,4-dichlorophenyl)methylideneamino]propyl]methanimine
SMILESCC(C/N=C/c1ccc(Cl)cc1Cl)/N=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H14Cl4N2/c1-11(23-10-13-3-5-15(19)7-17(13)21)8-22-9-12-2-4-14(18)6-16(12)20/h2-7,9-11H,8H2,1H3/b22-9+,23-10+
InChIKeyWGVBSKXYHZCOIF-HHAMRVRLSA-N
MW388.13 g/mol
LogP6.23
Rot. Bonds5

About 1-(2,4-dichlorophenyl)-N-[2-[(2,4-dichlorophenyl)methylideneamino]propyl]methanimine

1-(2,4-dichlorophenyl)-N-[2-[(2,4-dichlorophenyl)methylideneamino]propyl]methanimine (PubChem CID 2835360) has the molecular formula C17H14Cl4N2 and a molecular weight of 388.13 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-[2-[(2,4-dichlorophenyl)methylideneamino]propyl]methanimine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-[2-[(2,4-dichlorophenyl)methylideneamino]propyl]methanimine
PubChem CID2835360
Molecular FormulaC17H14Cl4N2
Molecular Weight388.13 g/mol
Exact Mass385.99
IUPAC Name1-(2,4-dichlorophenyl)-N-[2-[(2,4-dichlorophenyl)methylideneamino]propyl]methanimine
SMILESCC(C/N=C/c1ccc(Cl)cc1Cl)/N=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H14Cl4N2/c1-11(23-10-13-3-5-15(19)7-17(13)21)8-22-9-12-2-4-14(18)6-16(12)20/h2-7,9-11H,8H2,1H3/b22-9+,23-10+
InChIKeyWGVBSKXYHZCOIF-HHAMRVRLSA-N
XLogP6.23
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.13
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dichlorophenyl)-N-nonan-2-ylmethanimine
CID 139757285
1-(2,4-dichlorophenyl)-N-(2,2-diethoxyethyl)methanimine
CID 170944157
1-(2,4-dichlorophenyl)-N-pent-2-ynylmethanimine
CID 18915507
N-[(2,4-dichlorophenyl)methylideneamino]methanamine
CID 67650124
N-[2-(3-chloro-2-methylphenyl)ethyl]-1-(2,4-dichlorophenyl)methanimine
CID 14599842
4-butan-2-yl-2-[[(2S)-2-[(5-butan-2-yl-2-hydroxyphenyl)methylideneamino]propyl]iminomethyl]phenol
CID 136694434
1-(2-diphenylphosphanylphenyl)-N-[(2R)-2-[(2-diphenylphosphanylphenyl)methylideneamino]propyl]methanimine
CID 101057932
3-(2,4-dichlorophenyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine
CID 79340831
2-[(2,4-dichlorophenyl)methylideneamino]oxy-N-pentan-3-ylacetamide
CID 2436771
(E)-1-(2,4-dichlorophenyl)-N-prop-2-enoxymethanimine
CID 173365422
[(2,4-dichlorophenyl)methylideneamino]carbamic acid
CID 70469242
N-[(2,4-dichlorophenyl)methylideneamino]-N,6-dimethylpyridazin-3-amine
CID 6804613

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-[2-[(2,4-dichlorophenyl)methylideneamino]propyl]methanimine?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-[2-[(2,4-dichlorophenyl)methylideneamino]propyl]methanimine (CID 2835360) is 1-(2,4-dichlorophenyl)-N-[2-[(2,4-dichlorophenyl)methylideneamino]propyl]methanimine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-[2-[(2,4-dichlorophenyl)methylideneamino]propyl]methanimine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-[2-[(2,4-dichlorophenyl)methylideneamino]propyl]methanimine is CC(C/N=C/c1ccc(Cl)cc1Cl)/N=C/c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-[2-[(2,4-dichlorophenyl)methylideneamino]propyl]methanimine?
The InChIKey is WGVBSKXYHZCOIF-HHAMRVRLSA-N. The full InChI is InChI=1S/C17H14Cl4N2/c1-11(23-10-13-3-5-15(19)7-17(13)21)8-22-9-12-2-4-14(18)6-16(12)20/h2-7,9-11H,8H2,1H3/b22-9+,23-10+.
What are the key properties of 1-(2,4-dichlorophenyl)-N-[2-[(2,4-dichlorophenyl)methylideneamino]propyl]methanimine?
1-(2,4-dichlorophenyl)-N-[2-[(2,4-dichlorophenyl)methylideneamino]propyl]methanimine has a molecular weight of 388.13 g/mol, XLogP of 6.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-[2-[(2,4-dichlorophenyl)methylideneamino]propyl]methanimine is sourced from PubChem (CID 2835360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).