N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1-(2-methoxyphenyl)methanamine

C22H20Cl2N2O2 — CID 29147443

IUPACN-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1-(2-methoxyphenyl)methanamine
SMILESCOc1ccccc1CN/N=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C22H20Cl2N2O2/c1-27-22-5-3-2-4-17(22)14-26-25-13-16-6-10-20(11-7-16)28-15-18-8-9-19(23)12-21(18)24/h2-13,26H,14-15H2,1H3/b25-13-
InChIKeyWIZKPNYODSAHPZ-MXAYSNPKSA-N
MW415.32 g/mol
LogP5.70
Rot. Bonds8

About N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1-(2-methoxyphenyl)methanamine

N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1-(2-methoxyphenyl)methanamine (PubChem CID 29147443) has the molecular formula C22H20Cl2N2O2 and a molecular weight of 415.32 g/mol. Its IUPAC name is N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1-(2-methoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1-(2-methoxyphenyl)methanamine
PubChem CID29147443
Molecular FormulaC22H20Cl2N2O2
Molecular Weight415.32 g/mol
Exact Mass414.09
IUPAC NameN-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1-(2-methoxyphenyl)methanamine
SMILESCOc1ccccc1CN/N=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C22H20Cl2N2O2/c1-27-22-5-3-2-4-17(22)14-26-25-13-16-6-10-20(11-7-16)28-15-18-8-9-19(23)12-21(18)24/h2-13,26H,14-15H2,1H3/b25-13-
InChIKeyWIZKPNYODSAHPZ-MXAYSNPKSA-N
XLogP5.70
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.32
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 29147439
1-(2,6-dichlorophenyl)-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]methanamine
CID 19059944
N-[(Z)-(3-chlorophenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 29147718
N-[(Z)-(4-fluorophenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 29147731
4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]benzamide
CID 51061815
N-[(E)-benzylideneamino]-4-[(2,4-dichlorophenyl)methoxy]benzamide
CID 51061576
N-[(E)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 17245961
4-chloro-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 94847907
3-chloro-N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-methylaniline
CID 110842484
N-[(Z)-(5-chloro-2-propoxyphenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 29148109
N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methoxyaniline
CID 110508899
N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110338414

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1-(2-methoxyphenyl)methanamine?
The IUPAC name of N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1-(2-methoxyphenyl)methanamine (CID 29147443) is N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1-(2-methoxyphenyl)methanamine.
What is the SMILES notation for N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1-(2-methoxyphenyl)methanamine?
The canonical SMILES for N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1-(2-methoxyphenyl)methanamine is COc1ccccc1CN/N=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1-(2-methoxyphenyl)methanamine?
The InChIKey is WIZKPNYODSAHPZ-MXAYSNPKSA-N. The full InChI is InChI=1S/C22H20Cl2N2O2/c1-27-22-5-3-2-4-17(22)14-26-25-13-16-6-10-20(11-7-16)28-15-18-8-9-19(23)12-21(18)24/h2-13,26H,14-15H2,1H3/b25-13-.
What are the key properties of N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1-(2-methoxyphenyl)methanamine?
N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1-(2-methoxyphenyl)methanamine has a molecular weight of 415.32 g/mol, XLogP of 5.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1-(2-methoxyphenyl)methanamine is sourced from PubChem (CID 29147443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).