N-[(2,4,6-trimethoxyphenyl)methylideneamino]aniline

C16H18N2O3 — CID 169381531

IUPACN-[(2,4,6-trimethoxyphenyl)methylideneamino]aniline
SMILESCOc1cc(OC)c(C=NNc2ccccc2)c(OC)c1
InChIInChI=1S/C16H18N2O3/c1-19-13-9-15(20-2)14(16(10-13)21-3)11-17-18-12-7-5-4-6-8-12/h4-11,18H,1-3H3
InChIKeyMFFAWZPQKRUIKM-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.16
Rot. Bonds6

About N-[(2,4,6-trimethoxyphenyl)methylideneamino]aniline

N-[(2,4,6-trimethoxyphenyl)methylideneamino]aniline (PubChem CID 169381531) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[(2,4,6-trimethoxyphenyl)methylideneamino]aniline.

Molecular Properties

Compound NameN-[(2,4,6-trimethoxyphenyl)methylideneamino]aniline
PubChem CID169381531
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-[(2,4,6-trimethoxyphenyl)methylideneamino]aniline
SMILESCOc1cc(OC)c(C=NNc2ccccc2)c(OC)c1
InChIInChI=1S/C16H18N2O3/c1-19-13-9-15(20-2)14(16(10-13)21-3)11-17-18-12-7-5-4-6-8-12/h4-11,18H,1-3H3
InChIKeyMFFAWZPQKRUIKM-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

3,5-dimethoxy-2-[(phenylhydrazinylidene)methyl]phenol
CID 4137951
4-[3,5-dimethoxy-4-[(phenylhydrazinylidene)methyl]phenoxy]butanoic acid
CID 169381839
N-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]aniline
CID 126015225
N-[(2,4,6-trimethoxyphenyl)methylideneamino]pyridin-2-amine
CID 4235681
N-[(2,6-dichloro-3,4-dimethoxyphenyl)methylideneamino]aniline
CID 169383624
N-[(4,5-dimethoxy-2-methylphenyl)methylideneamino]aniline
CID 4212050
N-[[2-[(4,6-dimethoxy-2-pyridinyl)oxy]phenyl]methylideneamino]aniline
CID 67848902
N-[(3-bromo-2-chloro-6-methoxyphenyl)methylideneamino]aniline
CID 169384145
3-methoxy-4-[(phenylhydrazinylidene)methyl]phenol
CID 169381641
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]aniline
CID 6073337
N-[(2,3,4-trimethoxyphenyl)methylideneamino]aniline
CID 5062184
2-methyl-6-phenyl-N-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]thieno[2,3-d]pyrimidin-4-amine
CID 18269381

Frequently Asked Questions

What is the IUPAC name of N-[(2,4,6-trimethoxyphenyl)methylideneamino]aniline?
The IUPAC name of N-[(2,4,6-trimethoxyphenyl)methylideneamino]aniline (CID 169381531) is N-[(2,4,6-trimethoxyphenyl)methylideneamino]aniline.
What is the SMILES notation for N-[(2,4,6-trimethoxyphenyl)methylideneamino]aniline?
The canonical SMILES for N-[(2,4,6-trimethoxyphenyl)methylideneamino]aniline is COc1cc(OC)c(C=NNc2ccccc2)c(OC)c1.
What is the InChIKey of N-[(2,4,6-trimethoxyphenyl)methylideneamino]aniline?
The InChIKey is MFFAWZPQKRUIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-19-13-9-15(20-2)14(16(10-13)21-3)11-17-18-12-7-5-4-6-8-12/h4-11,18H,1-3H3.
What are the key properties of N-[(2,4,6-trimethoxyphenyl)methylideneamino]aniline?
N-[(2,4,6-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-[(2,4,6-trimethoxyphenyl)methylideneamino]aniline is sourced from PubChem (CID 169381531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).