N-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-2,3-dichloro-N-methylaniline

C15H14Cl3N3 — CID 89327170

IUPACN-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-2,3-dichloro-N-methylaniline
SMILESC/C(=N\N(C)c1cccc(Cl)c1Cl)c1cc(Cl)ccc1N
InChIInChI=1S/C15H14Cl3N3/c1-9(11-8-10(16)6-7-13(11)19)20-21(2)14-5-3-4-12(17)15(14)18/h3-8H,19H2,1-2H3/b20-9+
InChIKeyKKXFJLANXTZJPE-AWQFTUOYSA-N
MW342.66 g/mol
LogP5.09
Rot. Bonds3

About N-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-2,3-dichloro-N-methylaniline

N-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-2,3-dichloro-N-methylaniline (PubChem CID 89327170) has the molecular formula C15H14Cl3N3 and a molecular weight of 342.66 g/mol. Its IUPAC name is N-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-2,3-dichloro-N-methylaniline.

Molecular Properties

Compound NameN-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-2,3-dichloro-N-methylaniline
PubChem CID89327170
Molecular FormulaC15H14Cl3N3
Molecular Weight342.66 g/mol
Exact Mass341.03
IUPAC NameN-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-2,3-dichloro-N-methylaniline
SMILESC/C(=N\N(C)c1cccc(Cl)c1Cl)c1cc(Cl)ccc1N
InChIInChI=1S/C15H14Cl3N3/c1-9(11-8-10(16)6-7-13(11)19)20-21(2)14-5-3-4-12(17)15(14)18/h3-8H,19H2,1-2H3/b20-9+
InChIKeyKKXFJLANXTZJPE-AWQFTUOYSA-N
XLogP5.09
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.66
LogP ≤ 55.09
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,3-dichloro-N-[(Z)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-methylaniline
CID 90742179
4-chloro-2-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]aniline
CID 89327073
4-chloro-2-[(E)-N-(2-chloro-N-propylanilino)-C-methylcarbonimidoyl]aniline
CID 89327036
4-chloro-2-[(E)-N-(2-chloro-N-methylanilino)-C-methylcarbonimidoyl]-N,N-dimethylaniline
CID 58987654
4-chloro-2-[(E)-C-methyl-N-[N-methyl-3-(trifluoromethyl)anilino]carbonimidoyl]aniline
CID 89327189
N-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-N-methylquinolin-2-amine
CID 89327099
N-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-N-methylquinoxalin-2-amine
CID 89326931
2-[(E)-N-(4-chloro-N-methylanilino)-C-methylcarbonimidoyl]-4-methylaniline
CID 89329226
N-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-4-chloro-N-methylbenzamide
CID 89326911
N-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-3,4-dichloro-N-propan-2-ylaniline
CID 89327166
2-[(E)-N-(2-chloro-N-ethylanilino)-C-methylcarbonimidoyl]-4-methylaniline
CID 89329206
4-chloro-2-[(E)-N-(4-fluoro-N-propan-2-ylanilino)-C-methylcarbonimidoyl]aniline
CID 89327038

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-2,3-dichloro-N-methylaniline?
The IUPAC name of N-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-2,3-dichloro-N-methylaniline (CID 89327170) is N-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-2,3-dichloro-N-methylaniline.
What is the SMILES notation for N-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-2,3-dichloro-N-methylaniline?
The canonical SMILES for N-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-2,3-dichloro-N-methylaniline is C/C(=N\N(C)c1cccc(Cl)c1Cl)c1cc(Cl)ccc1N.
What is the InChIKey of N-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-2,3-dichloro-N-methylaniline?
The InChIKey is KKXFJLANXTZJPE-AWQFTUOYSA-N. The full InChI is InChI=1S/C15H14Cl3N3/c1-9(11-8-10(16)6-7-13(11)19)20-21(2)14-5-3-4-12(17)15(14)18/h3-8H,19H2,1-2H3/b20-9+.
What are the key properties of N-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-2,3-dichloro-N-methylaniline?
N-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-2,3-dichloro-N-methylaniline has a molecular weight of 342.66 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-2,3-dichloro-N-methylaniline is sourced from PubChem (CID 89327170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).