1-(2,6-dichlorophenyl)-N-[(E)-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]methanamine

C21H16Cl4N2O — CID 19060245

IUPAC1-(2,6-dichlorophenyl)-N-[(E)-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]methanamine
SMILESClc1ccc(COc2ccc(/C=N/NCc3c(Cl)cccc3Cl)cc2)cc1Cl
InChIInChI=1S/C21H16Cl4N2O/c22-18-2-1-3-19(23)17(18)12-27-26-11-14-4-7-16(8-5-14)28-13-15-6-9-20(24)21(25)10-15/h1-11,27H,12-13H2/b26-11+
InChIKeyWLUVFQVSLFHXHF-KBKYJPHKSA-N
MW454.18 g/mol
LogP7.00
Rot. Bonds7

About 1-(2,6-dichlorophenyl)-N-[(E)-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]methanamine

1-(2,6-dichlorophenyl)-N-[(E)-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]methanamine (PubChem CID 19060245) has the molecular formula C21H16Cl4N2O and a molecular weight of 454.18 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-N-[(E)-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]methanamine.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-N-[(E)-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]methanamine
PubChem CID19060245
Molecular FormulaC21H16Cl4N2O
Molecular Weight454.18 g/mol
Exact Mass452.00
IUPAC Name1-(2,6-dichlorophenyl)-N-[(E)-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]methanamine
SMILESClc1ccc(COc2ccc(/C=N/NCc3c(Cl)cccc3Cl)cc2)cc1Cl
InChIInChI=1S/C21H16Cl4N2O/c22-18-2-1-3-19(23)17(18)12-27-26-11-14-4-7-16(8-5-14)28-13-15-6-9-20(24)21(25)10-15/h1-11,27H,12-13H2/b26-11+
InChIKeyWLUVFQVSLFHXHF-KBKYJPHKSA-N
XLogP7.00
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.18
LogP ≤ 57.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1-phenylmethanamine
CID 110839719
N-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1-phenylmethanamine
CID 110839693
1-(2,6-dichlorophenyl)-N-[(E)-(4-ethoxyphenyl)methylideneamino]methanamine
CID 19059891
1-benzyl-3-[(E)-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]thiourea
CID 110339669
N-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide
CID 4154310
N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-1-(2,6-dichlorophenyl)methanamine
CID 19060113
2-[(2-chlorophenyl)methoxy]-N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 19657392
[4-[(3,4-dichlorophenyl)methoxy]phenyl]methanamine
CID 22687493
N-[(E)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 17245961
1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-N-dodecylmethanimine
CID 23343765
N-[(E)-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-1-(2,6-dichlorophenyl)methanamine
CID 19059945
[(E)-[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]thiourea
CID 110340789

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-N-[(E)-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]methanamine?
The IUPAC name of 1-(2,6-dichlorophenyl)-N-[(E)-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]methanamine (CID 19060245) is 1-(2,6-dichlorophenyl)-N-[(E)-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]methanamine.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-N-[(E)-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]methanamine?
The canonical SMILES for 1-(2,6-dichlorophenyl)-N-[(E)-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]methanamine is Clc1ccc(COc2ccc(/C=N/NCc3c(Cl)cccc3Cl)cc2)cc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-N-[(E)-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]methanamine?
The InChIKey is WLUVFQVSLFHXHF-KBKYJPHKSA-N. The full InChI is InChI=1S/C21H16Cl4N2O/c22-18-2-1-3-19(23)17(18)12-27-26-11-14-4-7-16(8-5-14)28-13-15-6-9-20(24)21(25)10-15/h1-11,27H,12-13H2/b26-11+.
What are the key properties of 1-(2,6-dichlorophenyl)-N-[(E)-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]methanamine?
1-(2,6-dichlorophenyl)-N-[(E)-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]methanamine has a molecular weight of 454.18 g/mol, XLogP of 7.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-N-[(E)-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]methanamine is sourced from PubChem (CID 19060245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).