N-[(4,5-dimethoxy-2-methylphenyl)methylideneamino]aniline

C16H18N2O2 — CID 4212050

IUPACN-[(4,5-dimethoxy-2-methylphenyl)methylideneamino]aniline
SMILESCOc1cc(C)c(C=NNc2ccccc2)cc1OC
InChIInChI=1S/C16H18N2O2/c1-12-9-15(19-2)16(20-3)10-13(12)11-17-18-14-7-5-4-6-8-14/h4-11,18H,1-3H3
InChIKeyGIFZERVZEWLWPF-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.46
Rot. Bonds5

About N-[(4,5-dimethoxy-2-methylphenyl)methylideneamino]aniline

N-[(4,5-dimethoxy-2-methylphenyl)methylideneamino]aniline (PubChem CID 4212050) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-[(4,5-dimethoxy-2-methylphenyl)methylideneamino]aniline.

Molecular Properties

Compound NameN-[(4,5-dimethoxy-2-methylphenyl)methylideneamino]aniline
PubChem CID4212050
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-[(4,5-dimethoxy-2-methylphenyl)methylideneamino]aniline
SMILESCOc1cc(C)c(C=NNc2ccccc2)cc1OC
InChIInChI=1S/C16H18N2O2/c1-12-9-15(19-2)16(20-3)10-13(12)11-17-18-14-7-5-4-6-8-14/h4-11,18H,1-3H3
InChIKeyGIFZERVZEWLWPF-UHFFFAOYSA-N
XLogP3.46
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.46
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

3-methoxy-4-[(phenylhydrazinylidene)methyl]phenol
CID 169381641
N-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]aniline
CID 169382884
N-[(2,3,4-trimethoxyphenyl)methylideneamino]aniline
CID 5062184
4-bromo-2-methoxy-5-[(phenylhydrazinylidene)methyl]phenol
CID 169381526
N-[(E)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]aniline
CID 110504857
[5-bromo-2-methoxy-4-[(phenylhydrazinylidene)methyl]phenyl] acetate
CID 169383922
N-[(2,5-dimethoxy-4-nitrophenyl)methylideneamino]aniline
CID 169384053
N-[(2,4,6-trimethoxyphenyl)methylideneamino]aniline
CID 169381531
N-[(E)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]aniline
CID 110504916
N-[(2,5-dibromo-4-methylphenyl)methylideneamino]aniline
CID 57372244
2-methoxy-6-[(phenylhydrazinylidene)methyl]-4-propan-2-ylphenol
CID 169382296
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-methylaniline
CID 9014557

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethoxy-2-methylphenyl)methylideneamino]aniline?
The IUPAC name of N-[(4,5-dimethoxy-2-methylphenyl)methylideneamino]aniline (CID 4212050) is N-[(4,5-dimethoxy-2-methylphenyl)methylideneamino]aniline.
What is the SMILES notation for N-[(4,5-dimethoxy-2-methylphenyl)methylideneamino]aniline?
The canonical SMILES for N-[(4,5-dimethoxy-2-methylphenyl)methylideneamino]aniline is COc1cc(C)c(C=NNc2ccccc2)cc1OC.
What is the InChIKey of N-[(4,5-dimethoxy-2-methylphenyl)methylideneamino]aniline?
The InChIKey is GIFZERVZEWLWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-12-9-15(19-2)16(20-3)10-13(12)11-17-18-14-7-5-4-6-8-14/h4-11,18H,1-3H3.
What are the key properties of N-[(4,5-dimethoxy-2-methylphenyl)methylideneamino]aniline?
N-[(4,5-dimethoxy-2-methylphenyl)methylideneamino]aniline has a molecular weight of 270.33 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethoxy-2-methylphenyl)methylideneamino]aniline is sourced from PubChem (CID 4212050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).