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

C19H24N2O4 — CID 133169032

IUPAC1-(3,4-dimethoxyphenyl)-N-[(E)-1-(2,4-dimethoxyphenyl)ethylideneamino]methanamine
SMILESCOc1ccc(/C(C)=N/NCc2ccc(OC)c(OC)c2)c(OC)c1
InChIInChI=1S/C19H24N2O4/c1-13(16-8-7-15(22-2)11-18(16)24-4)21-20-12-14-6-9-17(23-3)19(10-14)25-5/h6-11,20H,12H2,1-5H3/b21-13+
InChIKeyCPWTUZWNFAUHEZ-FYJGNVAPSA-N
MW344.41 g/mol
LogP3.23
Rot. Bonds8

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

1-(3,4-dimethoxyphenyl)-N-[(E)-1-(2,4-dimethoxyphenyl)ethylideneamino]methanamine (PubChem CID 133169032) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-[(E)-1-(2,4-dimethoxyphenyl)ethylideneamino]methanamine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-[(E)-1-(2,4-dimethoxyphenyl)ethylideneamino]methanamine
PubChem CID133169032
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name1-(3,4-dimethoxyphenyl)-N-[(E)-1-(2,4-dimethoxyphenyl)ethylideneamino]methanamine
SMILESCOc1ccc(/C(C)=N/NCc2ccc(OC)c(OC)c2)c(OC)c1
InChIInChI=1S/C19H24N2O4/c1-13(16-8-7-15(22-2)11-18(16)24-4)21-20-12-14-6-9-17(23-3)19(10-14)25-5/h6-11,20H,12H2,1-5H3/b21-13+
InChIKeyCPWTUZWNFAUHEZ-FYJGNVAPSA-N
XLogP3.23
TPSA61.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

1-(3,4-dimethoxyphenyl)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]methanamine
CID 99945129
N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]-1-(3,4-dimethoxyphenyl)methanamine
CID 133169356
1-(3,4-dimethoxyphenyl)-N-[(E)-1-naphthalen-1-ylethylideneamino]methanamine
CID 133169027
1-(3,4-dimethoxyphenyl)-N-[(E)-1-(4-phenoxyphenyl)ethylideneamino]methanamine
CID 133169350
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-1-(3,4-dimethoxyphenyl)methanamine
CID 99945117
1-(3,4-dimethoxyphenyl)-N-[(E)-1-(furan-2-yl)ethylideneamino]methanamine
CID 133168860
1-(2,4-dimethoxyphenyl)-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]ethanimine
CID 1032559
N-[2-[(2E)-2-[1-(2,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 6322344
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 737219
2-bromo-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]aniline
CID 2827315
2-(2,4-dimethoxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 9427593
N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 6259144

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-[(E)-1-(2,4-dimethoxyphenyl)ethylideneamino]methanamine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-[(E)-1-(2,4-dimethoxyphenyl)ethylideneamino]methanamine (CID 133169032) is 1-(3,4-dimethoxyphenyl)-N-[(E)-1-(2,4-dimethoxyphenyl)ethylideneamino]methanamine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-[(E)-1-(2,4-dimethoxyphenyl)ethylideneamino]methanamine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-[(E)-1-(2,4-dimethoxyphenyl)ethylideneamino]methanamine is COc1ccc(/C(C)=N/NCc2ccc(OC)c(OC)c2)c(OC)c1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-[(E)-1-(2,4-dimethoxyphenyl)ethylideneamino]methanamine?
The InChIKey is CPWTUZWNFAUHEZ-FYJGNVAPSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-13(16-8-7-15(22-2)11-18(16)24-4)21-20-12-14-6-9-17(23-3)19(10-14)25-5/h6-11,20H,12H2,1-5H3/b21-13+.
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-[(E)-1-(2,4-dimethoxyphenyl)ethylideneamino]methanamine?
1-(3,4-dimethoxyphenyl)-N-[(E)-1-(2,4-dimethoxyphenyl)ethylideneamino]methanamine has a molecular weight of 344.41 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N-[(E)-1-(2,4-dimethoxyphenyl)ethylideneamino]methanamine is sourced from PubChem (CID 133169032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).