2,4,6-trichloro-N-[(4-ethylphenyl)methylideneamino]aniline

C15H13Cl3N2 — CID 5223162

IUPAC2,4,6-trichloro-N-[(4-ethylphenyl)methylideneamino]aniline
SMILESCCc1ccc(C=NNc2c(Cl)cc(Cl)cc2Cl)cc1
InChIInChI=1S/C15H13Cl3N2/c1-2-10-3-5-11(6-4-10)9-19-20-15-13(17)7-12(16)8-14(15)18/h3-9,20H,2H2,1H3
InChIKeyHCZOFIUUHGMKMD-UHFFFAOYSA-N
MW327.64 g/mol
LogP5.66
Rot. Bonds4

About 2,4,6-trichloro-N-[(4-ethylphenyl)methylideneamino]aniline

2,4,6-trichloro-N-[(4-ethylphenyl)methylideneamino]aniline (PubChem CID 5223162) has the molecular formula C15H13Cl3N2 and a molecular weight of 327.64 g/mol. Its IUPAC name is 2,4,6-trichloro-N-[(4-ethylphenyl)methylideneamino]aniline.

Molecular Properties

Compound Name2,4,6-trichloro-N-[(4-ethylphenyl)methylideneamino]aniline
PubChem CID5223162
Molecular FormulaC15H13Cl3N2
Molecular Weight327.64 g/mol
Exact Mass326.01
IUPAC Name2,4,6-trichloro-N-[(4-ethylphenyl)methylideneamino]aniline
SMILESCCc1ccc(C=NNc2c(Cl)cc(Cl)cc2Cl)cc1
InChIInChI=1S/C15H13Cl3N2/c1-2-10-3-5-11(6-4-10)9-19-20-15-13(17)7-12(16)8-14(15)18/h3-9,20H,2H2,1H3
InChIKeyHCZOFIUUHGMKMD-UHFFFAOYSA-N
XLogP5.66
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.64
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

2,4,6-trichloro-N-[(Z)-(4-methylphenyl)methylideneamino]aniline
CID 6050977
4-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
CID 2841375
4-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]benzonitrile
CID 4231773
2,4,6-trichloro-N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]aniline
CID 5097716
N-[(E)-(4-ethylphenyl)methylideneamino]-3,4-dimethylaniline
CID 110505055
2,4,6-trichloro-N-(quinoxalin-6-ylmethylideneamino)aniline
CID 4316664
2-methoxy-4-[(Z)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
CID 136853833
N-[(E)-(4-ethylphenyl)methylideneamino]formamide
CID 6903320
N-[(4-ethylphenyl)methylideneamino]-2H-tetrazol-5-amine
CID 4153256
N-[(4-ethylphenyl)methylideneamino]-4-(trifluoromethyl)aniline
CID 110841973
1-(4-chlorophenyl)-3-[(Z)-(4-ethylphenyl)methylideneamino]urea
CID 110538497
3-(2,4-dichlorophenyl)-N-[(4-ethylphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 3438135

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-N-[(4-ethylphenyl)methylideneamino]aniline?
The IUPAC name of 2,4,6-trichloro-N-[(4-ethylphenyl)methylideneamino]aniline (CID 5223162) is 2,4,6-trichloro-N-[(4-ethylphenyl)methylideneamino]aniline.
What is the SMILES notation for 2,4,6-trichloro-N-[(4-ethylphenyl)methylideneamino]aniline?
The canonical SMILES for 2,4,6-trichloro-N-[(4-ethylphenyl)methylideneamino]aniline is CCc1ccc(C=NNc2c(Cl)cc(Cl)cc2Cl)cc1.
What is the InChIKey of 2,4,6-trichloro-N-[(4-ethylphenyl)methylideneamino]aniline?
The InChIKey is HCZOFIUUHGMKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl3N2/c1-2-10-3-5-11(6-4-10)9-19-20-15-13(17)7-12(16)8-14(15)18/h3-9,20H,2H2,1H3.
What are the key properties of 2,4,6-trichloro-N-[(4-ethylphenyl)methylideneamino]aniline?
2,4,6-trichloro-N-[(4-ethylphenyl)methylideneamino]aniline has a molecular weight of 327.64 g/mol, XLogP of 5.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloro-N-[(4-ethylphenyl)methylideneamino]aniline is sourced from PubChem (CID 5223162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).