N-[(2,6-dichloro-3,4-dimethoxyphenyl)methylideneamino]aniline

C15H14Cl2N2O2 — CID 169383624

IUPACN-[(2,6-dichloro-3,4-dimethoxyphenyl)methylideneamino]aniline
SMILESCOc1cc(Cl)c(C=NNc2ccccc2)c(Cl)c1OC
InChIInChI=1S/C15H14Cl2N2O2/c1-20-13-8-12(16)11(14(17)15(13)21-2)9-18-19-10-6-4-3-5-7-10/h3-9,19H,1-2H3
InChIKeyCPBKFVCPUMUYJW-UHFFFAOYSA-N
MW325.20 g/mol
LogP4.46
Rot. Bonds5

About N-[(2,6-dichloro-3,4-dimethoxyphenyl)methylideneamino]aniline

N-[(2,6-dichloro-3,4-dimethoxyphenyl)methylideneamino]aniline (PubChem CID 169383624) has the molecular formula C15H14Cl2N2O2 and a molecular weight of 325.20 g/mol. Its IUPAC name is N-[(2,6-dichloro-3,4-dimethoxyphenyl)methylideneamino]aniline.

Molecular Properties

Compound NameN-[(2,6-dichloro-3,4-dimethoxyphenyl)methylideneamino]aniline
PubChem CID169383624
Molecular FormulaC15H14Cl2N2O2
Molecular Weight325.20 g/mol
Exact Mass324.04
IUPAC NameN-[(2,6-dichloro-3,4-dimethoxyphenyl)methylideneamino]aniline
SMILESCOc1cc(Cl)c(C=NNc2ccccc2)c(Cl)c1OC
InChIInChI=1S/C15H14Cl2N2O2/c1-20-13-8-12(16)11(14(17)15(13)21-2)9-18-19-10-6-4-3-5-7-10/h3-9,19H,1-2H3
InChIKeyCPBKFVCPUMUYJW-UHFFFAOYSA-N
XLogP4.46
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 54.46
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

N-[(3-bromo-2-chloro-6-methoxyphenyl)methylideneamino]aniline
CID 169384145
N-[(2,4,6-trimethoxyphenyl)methylideneamino]aniline
CID 169381531
N-[(E)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]aniline
CID 110504857
N-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]aniline
CID 169382884
N-[(2,3,4-trimethoxyphenyl)methylideneamino]aniline
CID 5062184
N-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]aniline
CID 126015225
2-[2-chloro-6-methoxy-4-[(Z)-(phenylhydrazinylidene)methyl]phenoxy]acetic acid
CID 126270328
3,5-dimethoxy-2-[(phenylhydrazinylidene)methyl]phenol
CID 4137951
N-[(4,5-dimethoxy-2-methylphenyl)methylideneamino]aniline
CID 4212050
3,5-dichloro-4-[(phenylhydrazinylidene)methyl]benzonitrile
CID 169383531
N-[(E)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]aniline
CID 110504916
4-[2-[(3-chloro-4,5-dimethoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 84901065

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichloro-3,4-dimethoxyphenyl)methylideneamino]aniline?
The IUPAC name of N-[(2,6-dichloro-3,4-dimethoxyphenyl)methylideneamino]aniline (CID 169383624) is N-[(2,6-dichloro-3,4-dimethoxyphenyl)methylideneamino]aniline.
What is the SMILES notation for N-[(2,6-dichloro-3,4-dimethoxyphenyl)methylideneamino]aniline?
The canonical SMILES for N-[(2,6-dichloro-3,4-dimethoxyphenyl)methylideneamino]aniline is COc1cc(Cl)c(C=NNc2ccccc2)c(Cl)c1OC.
What is the InChIKey of N-[(2,6-dichloro-3,4-dimethoxyphenyl)methylideneamino]aniline?
The InChIKey is CPBKFVCPUMUYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2/c1-20-13-8-12(16)11(14(17)15(13)21-2)9-18-19-10-6-4-3-5-7-10/h3-9,19H,1-2H3.
What are the key properties of N-[(2,6-dichloro-3,4-dimethoxyphenyl)methylideneamino]aniline?
N-[(2,6-dichloro-3,4-dimethoxyphenyl)methylideneamino]aniline has a molecular weight of 325.20 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichloro-3,4-dimethoxyphenyl)methylideneamino]aniline is sourced from PubChem (CID 169383624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).