4-[(3,4-dichlorophenyl)iminomethyl]-2-methanimidoyl-N-methylaniline

C15H13Cl2N3 — CID 129089976

IUPAC4-[(3,4-dichlorophenyl)iminomethyl]-2-methanimidoyl-N-methylaniline
SMILES[H]/N=C/c1cc(/C=N/c2ccc(Cl)c(Cl)c2)ccc1NC
InChIInChI=1S/C15H13Cl2N3/c1-19-15-5-2-10(6-11(15)8-18)9-20-12-3-4-13(16)14(17)7-12/h2-9,18-19H,1H3/b18-8+,20-9+
InChIKeyRVWJDJVNAVPRID-PTKVCHDZSA-N
MW306.20 g/mol
LogP4.78
Rot. Bonds4

About 4-[(3,4-dichlorophenyl)iminomethyl]-2-methanimidoyl-N-methylaniline

4-[(3,4-dichlorophenyl)iminomethyl]-2-methanimidoyl-N-methylaniline (PubChem CID 129089976) has the molecular formula C15H13Cl2N3 and a molecular weight of 306.20 g/mol. Its IUPAC name is 4-[(3,4-dichlorophenyl)iminomethyl]-2-methanimidoyl-N-methylaniline.

Molecular Properties

Compound Name4-[(3,4-dichlorophenyl)iminomethyl]-2-methanimidoyl-N-methylaniline
PubChem CID129089976
Molecular FormulaC15H13Cl2N3
Molecular Weight306.20 g/mol
Exact Mass305.05
IUPAC Name4-[(3,4-dichlorophenyl)iminomethyl]-2-methanimidoyl-N-methylaniline
SMILES[H]/N=C/c1cc(/C=N/c2ccc(Cl)c(Cl)c2)ccc1NC
InChIInChI=1S/C15H13Cl2N3/c1-19-15-5-2-10(6-11(15)8-18)9-20-12-3-4-13(16)14(17)7-12/h2-9,18-19H,1H3/b18-8+,20-9+
InChIKeyRVWJDJVNAVPRID-PTKVCHDZSA-N
XLogP4.78
TPSA48.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dichlorophenyl)iminomethyl]-2-methanimidoyl-N-methylaniline?
The IUPAC name of 4-[(3,4-dichlorophenyl)iminomethyl]-2-methanimidoyl-N-methylaniline (CID 129089976) is 4-[(3,4-dichlorophenyl)iminomethyl]-2-methanimidoyl-N-methylaniline.
What is the SMILES notation for 4-[(3,4-dichlorophenyl)iminomethyl]-2-methanimidoyl-N-methylaniline?
The canonical SMILES for 4-[(3,4-dichlorophenyl)iminomethyl]-2-methanimidoyl-N-methylaniline is [H]/N=C/c1cc(/C=N/c2ccc(Cl)c(Cl)c2)ccc1NC.
What is the InChIKey of 4-[(3,4-dichlorophenyl)iminomethyl]-2-methanimidoyl-N-methylaniline?
The InChIKey is RVWJDJVNAVPRID-PTKVCHDZSA-N. The full InChI is InChI=1S/C15H13Cl2N3/c1-19-15-5-2-10(6-11(15)8-18)9-20-12-3-4-13(16)14(17)7-12/h2-9,18-19H,1H3/b18-8+,20-9+.
What are the key properties of 4-[(3,4-dichlorophenyl)iminomethyl]-2-methanimidoyl-N-methylaniline?
4-[(3,4-dichlorophenyl)iminomethyl]-2-methanimidoyl-N-methylaniline has a molecular weight of 306.20 g/mol, XLogP of 4.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dichlorophenyl)iminomethyl]-2-methanimidoyl-N-methylaniline is sourced from PubChem (CID 129089976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).