N-[(2,3,4-trimethoxyphenyl)methylideneamino]aniline

C16H18N2O3 — CID 5062184

IUPACN-[(2,3,4-trimethoxyphenyl)methylideneamino]aniline
SMILESCOc1ccc(C=NNc2ccccc2)c(OC)c1OC
InChIInChI=1S/C16H18N2O3/c1-19-14-10-9-12(15(20-2)16(14)21-3)11-17-18-13-7-5-4-6-8-13/h4-11,18H,1-3H3
InChIKeyNNUBZQMZUVNALC-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.16
Rot. Bonds6

About N-[(2,3,4-trimethoxyphenyl)methylideneamino]aniline

N-[(2,3,4-trimethoxyphenyl)methylideneamino]aniline (PubChem CID 5062184) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[(2,3,4-trimethoxyphenyl)methylideneamino]aniline.

Molecular Properties

Compound NameN-[(2,3,4-trimethoxyphenyl)methylideneamino]aniline
PubChem CID5062184
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-[(2,3,4-trimethoxyphenyl)methylideneamino]aniline
SMILESCOc1ccc(C=NNc2ccccc2)c(OC)c1OC
InChIInChI=1S/C16H18N2O3/c1-19-14-10-9-12(15(20-2)16(14)21-3)11-17-18-13-7-5-4-6-8-13/h4-11,18H,1-3H3
InChIKeyNNUBZQMZUVNALC-UHFFFAOYSA-N
XLogP3.16
TPSA52.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.16
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'}

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Related Compounds

N-[(E)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]aniline
CID 110504916
3-[(2Z)-2-[(2,3,4-trimethoxyphenyl)methylidene]hydrazinyl]benzoate
CID 7066821
N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]pyridin-2-amine
CID 6146230
N-[(4-bromo-3-fluoro-2-methoxyphenyl)methylideneamino]aniline
CID 169384109
1-phenyl-N-[(2,3,4-trimethoxyphenyl)methylideneamino]methanamine
CID 3287826
2,3,4,5,6-pentafluoro-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]aniline
CID 9466478
N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-4-fluoroaniline
CID 9076349
N-[(E)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]aniline
CID 110504857
3-methoxy-4-[(phenylhydrazinylidene)methyl]phenol
CID 169381641
N-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]aniline
CID 110504926
N-[(4,5-dimethoxy-2-methylphenyl)methylideneamino]aniline
CID 4212050
N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]acridin-9-amine
CID 45481473

Frequently Asked Questions

What is the IUPAC name of N-[(2,3,4-trimethoxyphenyl)methylideneamino]aniline?
The IUPAC name of N-[(2,3,4-trimethoxyphenyl)methylideneamino]aniline (CID 5062184) is N-[(2,3,4-trimethoxyphenyl)methylideneamino]aniline.
What is the SMILES notation for N-[(2,3,4-trimethoxyphenyl)methylideneamino]aniline?
The canonical SMILES for N-[(2,3,4-trimethoxyphenyl)methylideneamino]aniline is COc1ccc(C=NNc2ccccc2)c(OC)c1OC.
What is the InChIKey of N-[(2,3,4-trimethoxyphenyl)methylideneamino]aniline?
The InChIKey is NNUBZQMZUVNALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-19-14-10-9-12(15(20-2)16(14)21-3)11-17-18-13-7-5-4-6-8-13/h4-11,18H,1-3H3.
What are the key properties of N-[(2,3,4-trimethoxyphenyl)methylideneamino]aniline?
N-[(2,3,4-trimethoxyphenyl)methylideneamino]aniline has a molecular weight of 286.33 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3,4-trimethoxyphenyl)methylideneamino]aniline is sourced from PubChem (CID 5062184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).