1-(3,4-dimethoxyphenyl)-N-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]methanamine

C26H30N2O4 — CID 92658500

IUPAC1-(3,4-dimethoxyphenyl)-N-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]methanamine
SMILESCCOc1cc(/C=N\NCc2ccc(OC)c(OC)c2)ccc1OCc1ccc(C)cc1
InChIInChI=1S/C26H30N2O4/c1-5-31-26-15-22(11-13-24(26)32-18-20-8-6-19(2)7-9-20)17-28-27-16-21-10-12-23(29-3)25(14-21)30-4/h6-15,17,27H,5,16,18H2,1-4H3/b28-17-
InChIKeyYSNFNOSSDCPSNI-QRQIAZFYSA-N
MW434.54 g/mol
LogP5.11
Rot. Bonds11

About 1-(3,4-dimethoxyphenyl)-N-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]methanamine

1-(3,4-dimethoxyphenyl)-N-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]methanamine (PubChem CID 92658500) has the molecular formula C26H30N2O4 and a molecular weight of 434.54 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]methanamine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]methanamine
PubChem CID92658500
Molecular FormulaC26H30N2O4
Molecular Weight434.54 g/mol
Exact Mass434.22
IUPAC Name1-(3,4-dimethoxyphenyl)-N-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]methanamine
SMILESCCOc1cc(/C=N\NCc2ccc(OC)c(OC)c2)ccc1OCc1ccc(C)cc1
InChIInChI=1S/C26H30N2O4/c1-5-31-26-15-22(11-13-24(26)32-18-20-8-6-19(2)7-9-20)17-28-27-16-21-10-12-23(29-3)25(14-21)30-4/h6-15,17,27H,5,16,18H2,1-4H3/b28-17-
InChIKeyYSNFNOSSDCPSNI-QRQIAZFYSA-N
XLogP5.11
TPSA61.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.54
LogP ≤ 55.11
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'}

Analyze 1-(3,4-dimethoxyphenyl)-N-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 17246005
N-[(E)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-4-methoxyaniline
CID 110508914
3-ethoxy-N-[(E)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-4-methoxybenzamide
CID 126308611
N-[(Z)-[3-bromo-4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-1-(3,4-dimethoxyphenyl)methanamine
CID 99944987
N-[(E)-[3-bromo-4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-1-(3,4-dimethoxyphenyl)methanamine
CID 133171037
4-fluoro-N-[(E)-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 110506224
[(Z)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]urea
CID 5426310
N-[(Z)-[3-bromo-5-ethoxy-4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-1-(3,4-dimethoxyphenyl)methanamine
CID 99945184
N-[(E)-[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-1-(3,4-dimethoxyphenyl)methanamine
CID 133169220
N-[(Z)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-1-(3,4-dimethoxyphenyl)methanamine
CID 99945077
1-(3,4-dimethoxyphenyl)-N-[(Z)-(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]methanamine
CID 92658176
2-[4-[(E)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]-2-methoxyphenoxy]acetic acid
CID 133169157

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]methanamine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]methanamine (CID 92658500) is 1-(3,4-dimethoxyphenyl)-N-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]methanamine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]methanamine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]methanamine is CCOc1cc(/C=N\NCc2ccc(OC)c(OC)c2)ccc1OCc1ccc(C)cc1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]methanamine?
The InChIKey is YSNFNOSSDCPSNI-QRQIAZFYSA-N. The full InChI is InChI=1S/C26H30N2O4/c1-5-31-26-15-22(11-13-24(26)32-18-20-8-6-19(2)7-9-20)17-28-27-16-21-10-12-23(29-3)25(14-21)30-4/h6-15,17,27H,5,16,18H2,1-4H3/b28-17-.
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]methanamine?
1-(3,4-dimethoxyphenyl)-N-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]methanamine has a molecular weight of 434.54 g/mol, XLogP of 5.11, 11 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-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]methanamine is sourced from PubChem (CID 92658500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).