4-methyl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]aniline

C17H20N2O3 — CID 6258839

IUPAC4-methyl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]aniline
SMILESCOc1cc(/C=N\Nc2ccc(C)cc2)cc(OC)c1OC
InChIInChI=1S/C17H20N2O3/c1-12-5-7-14(8-6-12)19-18-11-13-9-15(20-2)17(22-4)16(10-13)21-3/h5-11,19H,1-4H3/b18-11-
InChIKeyPVPXUAITIPNEMI-WQRHYEAKSA-N
MW300.36 g/mol
LogP3.47
Rot. Bonds6

About 4-methyl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]aniline

4-methyl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]aniline (PubChem CID 6258839) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-methyl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]aniline.

Molecular Properties

Compound Name4-methyl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]aniline
PubChem CID6258839
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name4-methyl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]aniline
SMILESCOc1cc(/C=N\Nc2ccc(C)cc2)cc(OC)c1OC
InChIInChI=1S/C17H20N2O3/c1-12-5-7-14(8-6-12)19-18-11-13-9-15(20-2)17(22-4)16(10-13)21-3/h5-11,19H,1-4H3/b18-11-
InChIKeyPVPXUAITIPNEMI-WQRHYEAKSA-N
XLogP3.47
TPSA52.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.47
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'}

Analyze 4-methyl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]aniline 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)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]-4-methylaniline
CID 110505430
[2,6-dimethoxy-4-[(Z)-[(4-methylphenyl)hydrazinylidene]methyl]phenyl] acetate
CID 9059590
4-N,6-N-bis(4-methylphenyl)-2-N-[(3,4,5-trimethoxyphenyl)methylideneamino]-1,3,5-triazine-2,4,6-triamine
CID 3720446
N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-3,4-dimethylaniline
CID 110505059
4-methyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 769086
N-[(E)-(4-butoxy-3-methoxy-5-nitrophenyl)methylideneamino]-4-methylaniline
CID 110505489
4-chloro-N-[(E)-(4-ethoxy-3,5-dimethoxyphenyl)methylideneamino]aniline
CID 110506062
N-[(E)-(4-ethoxy-3,5-dimethoxyphenyl)methylideneamino]-3,4-dimethylaniline
CID 110504940
2-fluoro-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]aniline
CID 164513023
4-[2-[(3-chloro-4,5-dimethoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 84901065
4-methoxy-N-[(E)-[3-methoxy-4-[(4-methylphenyl)methoxy]-5-nitrophenyl]methylideneamino]aniline
CID 110508966
N-[(E)-(3,4-dimethoxy-5-methylphenyl)methylideneamino]-4-imidazol-1-ylaniline
CID 142947750

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]aniline?
The IUPAC name of 4-methyl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]aniline (CID 6258839) is 4-methyl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]aniline.
What is the SMILES notation for 4-methyl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]aniline?
The canonical SMILES for 4-methyl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]aniline is COc1cc(/C=N\Nc2ccc(C)cc2)cc(OC)c1OC.
What is the InChIKey of 4-methyl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]aniline?
The InChIKey is PVPXUAITIPNEMI-WQRHYEAKSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-12-5-7-14(8-6-12)19-18-11-13-9-15(20-2)17(22-4)16(10-13)21-3/h5-11,19H,1-4H3/b18-11-.
What are the key properties of 4-methyl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]aniline?
4-methyl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]aniline has a molecular weight of 300.36 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]aniline is sourced from PubChem (CID 6258839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).