2,6-dichloro-4-[(3,5-dimethoxyphenyl)methylideneamino]aniline

C15H14Cl2N2O2 — CID 13064576

IUPAC2,6-dichloro-4-[(3,5-dimethoxyphenyl)methylideneamino]aniline
SMILESCOc1cc(/C=N/c2cc(Cl)c(N)c(Cl)c2)cc(OC)c1
InChIInChI=1S/C15H14Cl2N2O2/c1-20-11-3-9(4-12(7-11)21-2)8-19-10-5-13(16)15(18)14(17)6-10/h3-8H,18H2,1-2H3/b19-8+
InChIKeyHVEAITGHSDGYHK-UFWORHAWSA-N
MW325.20 g/mol
LogP4.34
Rot. Bonds4

About 2,6-dichloro-4-[(3,5-dimethoxyphenyl)methylideneamino]aniline

2,6-dichloro-4-[(3,5-dimethoxyphenyl)methylideneamino]aniline (PubChem CID 13064576) has the molecular formula C15H14Cl2N2O2 and a molecular weight of 325.20 g/mol. Its IUPAC name is 2,6-dichloro-4-[(3,5-dimethoxyphenyl)methylideneamino]aniline.

Molecular Properties

Compound Name2,6-dichloro-4-[(3,5-dimethoxyphenyl)methylideneamino]aniline
PubChem CID13064576
Molecular FormulaC15H14Cl2N2O2
Molecular Weight325.20 g/mol
Exact Mass324.04
IUPAC Name2,6-dichloro-4-[(3,5-dimethoxyphenyl)methylideneamino]aniline
SMILESCOc1cc(/C=N/c2cc(Cl)c(N)c(Cl)c2)cc(OC)c1
InChIInChI=1S/C15H14Cl2N2O2/c1-20-11-3-9(4-12(7-11)21-2)8-19-10-5-13(16)15(18)14(17)6-10/h3-8H,18H2,1-2H3/b19-8+
InChIKeyHVEAITGHSDGYHK-UFWORHAWSA-N
XLogP4.34
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-[(3,5-dimethoxyphenyl)methylideneamino]aniline?
The IUPAC name of 2,6-dichloro-4-[(3,5-dimethoxyphenyl)methylideneamino]aniline (CID 13064576) is 2,6-dichloro-4-[(3,5-dimethoxyphenyl)methylideneamino]aniline.
What is the SMILES notation for 2,6-dichloro-4-[(3,5-dimethoxyphenyl)methylideneamino]aniline?
The canonical SMILES for 2,6-dichloro-4-[(3,5-dimethoxyphenyl)methylideneamino]aniline is COc1cc(/C=N/c2cc(Cl)c(N)c(Cl)c2)cc(OC)c1.
What is the InChIKey of 2,6-dichloro-4-[(3,5-dimethoxyphenyl)methylideneamino]aniline?
The InChIKey is HVEAITGHSDGYHK-UFWORHAWSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2/c1-20-11-3-9(4-12(7-11)21-2)8-19-10-5-13(16)15(18)14(17)6-10/h3-8H,18H2,1-2H3/b19-8+.
What are the key properties of 2,6-dichloro-4-[(3,5-dimethoxyphenyl)methylideneamino]aniline?
2,6-dichloro-4-[(3,5-dimethoxyphenyl)methylideneamino]aniline has a molecular weight of 325.20 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-[(3,5-dimethoxyphenyl)methylideneamino]aniline is sourced from PubChem (CID 13064576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).