N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]-1-(3,4-dimethoxyphenyl)methanamine

C17H18Cl2N2O2 — CID 133169356

IUPACN-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]-1-(3,4-dimethoxyphenyl)methanamine
SMILESCOc1ccc(CN/N=C(\C)c2ccc(Cl)cc2Cl)cc1OC
InChIInChI=1S/C17H18Cl2N2O2/c1-11(14-6-5-13(18)9-15(14)19)21-20-10-12-4-7-16(22-2)17(8-12)23-3/h4-9,20H,10H2,1-3H3/b21-11+
InChIKeyWMTDXKCRNLHXNX-SRZZPIQSSA-N
MW353.25 g/mol
LogP4.52
Rot. Bonds6

About N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]-1-(3,4-dimethoxyphenyl)methanamine

N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]-1-(3,4-dimethoxyphenyl)methanamine (PubChem CID 133169356) has the molecular formula C17H18Cl2N2O2 and a molecular weight of 353.25 g/mol. Its IUPAC name is N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]-1-(3,4-dimethoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]-1-(3,4-dimethoxyphenyl)methanamine
PubChem CID133169356
Molecular FormulaC17H18Cl2N2O2
Molecular Weight353.25 g/mol
Exact Mass352.07
IUPAC NameN-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]-1-(3,4-dimethoxyphenyl)methanamine
SMILESCOc1ccc(CN/N=C(\C)c2ccc(Cl)cc2Cl)cc1OC
InChIInChI=1S/C17H18Cl2N2O2/c1-11(14-6-5-13(18)9-15(14)19)21-20-10-12-4-7-16(22-2)17(8-12)23-3/h4-9,20H,10H2,1-3H3/b21-11+
InChIKeyWMTDXKCRNLHXNX-SRZZPIQSSA-N
XLogP4.52
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.25
LogP ≤ 54.52
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)-1-(4-chlorophenyl)ethylideneamino]-1-(3,4-dimethoxyphenyl)methanamine
CID 99945117
1-(3,4-dimethoxyphenyl)-N-[(E)-1-(2,4-dimethoxyphenyl)ethylideneamino]methanamine
CID 133169032
1-(3,4-dimethoxyphenyl)-N-[(E)-1-naphthalen-1-ylethylideneamino]methanamine
CID 133169027
1-(3,4-dimethoxyphenyl)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]methanamine
CID 99945129
1-(3,4-dimethoxyphenyl)-N-[(E)-1-(furan-2-yl)ethylideneamino]methanamine
CID 133168860
N-[(3-chloro-4-fluorophenyl)methyl]-1-(3,4-dimethoxyphenyl)methanamine
CID 60615931
1-[(2,4-dichlorophenyl)methyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38157404
1-(3,4-dimethoxyphenyl)-N-[(E)-1-(4-phenoxyphenyl)ethylideneamino]methanamine
CID 133169350
N-[(3-amino-4-methoxyphenyl)methyl]-2,4-dichlorobenzamide
CID 60972237
N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-1-(3,4-dimethoxyphenyl)methanamine
CID 92658221
1-[2-(2,4-dichlorophenyl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 108989707
2-[(3-chloro-4-fluorophenyl)methyl]-1-[(3,4-dimethoxyphenyl)methyl]guanidine
CID 111045712

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]-1-(3,4-dimethoxyphenyl)methanamine?
The IUPAC name of N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]-1-(3,4-dimethoxyphenyl)methanamine (CID 133169356) is N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]-1-(3,4-dimethoxyphenyl)methanamine.
What is the SMILES notation for N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]-1-(3,4-dimethoxyphenyl)methanamine?
The canonical SMILES for N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]-1-(3,4-dimethoxyphenyl)methanamine is COc1ccc(CN/N=C(\C)c2ccc(Cl)cc2Cl)cc1OC.
What is the InChIKey of N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]-1-(3,4-dimethoxyphenyl)methanamine?
The InChIKey is WMTDXKCRNLHXNX-SRZZPIQSSA-N. The full InChI is InChI=1S/C17H18Cl2N2O2/c1-11(14-6-5-13(18)9-15(14)19)21-20-10-12-4-7-16(22-2)17(8-12)23-3/h4-9,20H,10H2,1-3H3/b21-11+.
What are the key properties of N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]-1-(3,4-dimethoxyphenyl)methanamine?
N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]-1-(3,4-dimethoxyphenyl)methanamine has a molecular weight of 353.25 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]-1-(3,4-dimethoxyphenyl)methanamine is sourced from PubChem (CID 133169356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).