2,6-dichloro-4-[[4-(dimethylamino)phenyl]methylideneamino]aniline

C15H15Cl2N3 — CID 1225127

IUPAC2,6-dichloro-4-[[4-(dimethylamino)phenyl]methylideneamino]aniline
SMILESCN(C)c1ccc(/C=N/c2cc(Cl)c(N)c(Cl)c2)cc1
InChIInChI=1S/C15H15Cl2N3/c1-20(2)12-5-3-10(4-6-12)9-19-11-7-13(16)15(18)14(17)8-11/h3-9H,18H2,1-2H3/b19-9+
InChIKeyAGPZONUMMSVPMY-DJKKODMXSA-N
MW308.21 g/mol
LogP4.39
Rot. Bonds3

About 2,6-dichloro-4-[[4-(dimethylamino)phenyl]methylideneamino]aniline

2,6-dichloro-4-[[4-(dimethylamino)phenyl]methylideneamino]aniline (PubChem CID 1225127) has the molecular formula C15H15Cl2N3 and a molecular weight of 308.21 g/mol. Its IUPAC name is 2,6-dichloro-4-[[4-(dimethylamino)phenyl]methylideneamino]aniline.

Molecular Properties

Compound Name2,6-dichloro-4-[[4-(dimethylamino)phenyl]methylideneamino]aniline
PubChem CID1225127
Molecular FormulaC15H15Cl2N3
Molecular Weight308.21 g/mol
Exact Mass307.06
IUPAC Name2,6-dichloro-4-[[4-(dimethylamino)phenyl]methylideneamino]aniline
SMILESCN(C)c1ccc(/C=N/c2cc(Cl)c(N)c(Cl)c2)cc1
InChIInChI=1S/C15H15Cl2N3/c1-20(2)12-5-3-10(4-6-12)9-19-11-7-13(16)15(18)14(17)8-11/h3-9H,18H2,1-2H3/b19-9+
InChIKeyAGPZONUMMSVPMY-DJKKODMXSA-N
XLogP4.39
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[[4-(dimethylamino)phenyl]methylideneamino]aniline?
The IUPAC name of 2,6-dichloro-4-[[4-(dimethylamino)phenyl]methylideneamino]aniline (CID 1225127) is 2,6-dichloro-4-[[4-(dimethylamino)phenyl]methylideneamino]aniline.
What is the SMILES notation for 2,6-dichloro-4-[[4-(dimethylamino)phenyl]methylideneamino]aniline?
The canonical SMILES for 2,6-dichloro-4-[[4-(dimethylamino)phenyl]methylideneamino]aniline is CN(C)c1ccc(/C=N/c2cc(Cl)c(N)c(Cl)c2)cc1.
What is the InChIKey of 2,6-dichloro-4-[[4-(dimethylamino)phenyl]methylideneamino]aniline?
The InChIKey is AGPZONUMMSVPMY-DJKKODMXSA-N. The full InChI is InChI=1S/C15H15Cl2N3/c1-20(2)12-5-3-10(4-6-12)9-19-11-7-13(16)15(18)14(17)8-11/h3-9H,18H2,1-2H3/b19-9+.
What are the key properties of 2,6-dichloro-4-[[4-(dimethylamino)phenyl]methylideneamino]aniline?
2,6-dichloro-4-[[4-(dimethylamino)phenyl]methylideneamino]aniline has a molecular weight of 308.21 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-[[4-(dimethylamino)phenyl]methylideneamino]aniline is sourced from PubChem (CID 1225127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).