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

C23H22Cl2N2O3 — CID 17245961

IUPACN-[(E)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-1-(2-methoxyphenyl)methanamine
SMILESCOc1ccccc1CN/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1
InChIInChI=1S/C23H22Cl2N2O3/c1-28-21-6-4-3-5-18(21)14-27-26-13-16-8-10-22(23(12-16)29-2)30-15-17-7-9-19(24)20(25)11-17/h3-13,27H,14-15H2,1-2H3/b26-13+
InChIKeyMGCJFTRDXNFSLZ-LGJNPRDNSA-N
MW445.35 g/mol
LogP5.71
Rot. Bonds9

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

N-[(E)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-1-(2-methoxyphenyl)methanamine (PubChem CID 17245961) has the molecular formula C23H22Cl2N2O3 and a molecular weight of 445.35 g/mol. Its IUPAC name is N-[(E)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-1-(2-methoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(E)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-1-(2-methoxyphenyl)methanamine
PubChem CID17245961
Molecular FormulaC23H22Cl2N2O3
Molecular Weight445.35 g/mol
Exact Mass444.10
IUPAC NameN-[(E)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-1-(2-methoxyphenyl)methanamine
SMILESCOc1ccccc1CN/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1
InChIInChI=1S/C23H22Cl2N2O3/c1-28-21-6-4-3-5-18(21)14-27-26-13-16-8-10-22(23(12-16)29-2)30-15-17-7-9-19(24)20(25)11-17/h3-13,27H,14-15H2,1-2H3/b26-13+
InChIKeyMGCJFTRDXNFSLZ-LGJNPRDNSA-N
XLogP5.71
TPSA52.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.35
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(E)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]methanamine
CID 110340188
N-[(E)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110340184
3-[[2-methoxy-4-[(E)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]phenoxy]methyl]benzonitrile
CID 17245967
N-[(E)-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 17245635
N-[(E)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 17246005
3,4-dichloro-N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110840463
N-[(E)-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-1-(2,6-dichlorophenyl)methanamine
CID 19059945
N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 29147564
N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(4-hydroxyphenyl)acetamide
CID 110515524
N-[(E)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-1,1,2,2,3,3,3-heptafluoropropan-1-amine
CID 126041904
(NZ)-N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]benzenesulfonamide
CID 110518689
N-[(E)-[4-[(4-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 17245650

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-1-(2-methoxyphenyl)methanamine?
The IUPAC name of N-[(E)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-1-(2-methoxyphenyl)methanamine (CID 17245961) is N-[(E)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-1-(2-methoxyphenyl)methanamine.
What is the SMILES notation for N-[(E)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-1-(2-methoxyphenyl)methanamine?
The canonical SMILES for N-[(E)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-1-(2-methoxyphenyl)methanamine is COc1ccccc1CN/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1.
What is the InChIKey of N-[(E)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-1-(2-methoxyphenyl)methanamine?
The InChIKey is MGCJFTRDXNFSLZ-LGJNPRDNSA-N. The full InChI is InChI=1S/C23H22Cl2N2O3/c1-28-21-6-4-3-5-18(21)14-27-26-13-16-8-10-22(23(12-16)29-2)30-15-17-7-9-19(24)20(25)11-17/h3-13,27H,14-15H2,1-2H3/b26-13+.
What are the key properties of N-[(E)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-1-(2-methoxyphenyl)methanamine?
N-[(E)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-1-(2-methoxyphenyl)methanamine has a molecular weight of 445.35 g/mol, XLogP of 5.71, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-1-(2-methoxyphenyl)methanamine is sourced from PubChem (CID 17245961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).