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

C14H11Cl3N2 — CID 6050977

IUPAC2,4,6-trichloro-N-[(Z)-(4-methylphenyl)methylideneamino]aniline
SMILESCc1ccc(/C=N\Nc2c(Cl)cc(Cl)cc2Cl)cc1
InChIInChI=1S/C14H11Cl3N2/c1-9-2-4-10(5-3-9)8-18-19-14-12(16)6-11(15)7-13(14)17/h2-8,19H,1H3/b18-8-
InChIKeyNEZAKLIDLWQJBI-LSCVHKIXSA-N
MW313.62 g/mol
LogP5.40
Rot. Bonds3

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

2,4,6-trichloro-N-[(Z)-(4-methylphenyl)methylideneamino]aniline (PubChem CID 6050977) has the molecular formula C14H11Cl3N2 and a molecular weight of 313.62 g/mol. Its IUPAC name is 2,4,6-trichloro-N-[(Z)-(4-methylphenyl)methylideneamino]aniline.

Molecular Properties

Compound Name2,4,6-trichloro-N-[(Z)-(4-methylphenyl)methylideneamino]aniline
PubChem CID6050977
Molecular FormulaC14H11Cl3N2
Molecular Weight313.62 g/mol
Exact Mass312.00
IUPAC Name2,4,6-trichloro-N-[(Z)-(4-methylphenyl)methylideneamino]aniline
SMILESCc1ccc(/C=N\Nc2c(Cl)cc(Cl)cc2Cl)cc1
InChIInChI=1S/C14H11Cl3N2/c1-9-2-4-10(5-3-9)8-18-19-14-12(16)6-11(15)7-13(14)17/h2-8,19H,1H3/b18-8-
InChIKeyNEZAKLIDLWQJBI-LSCVHKIXSA-N
XLogP5.40
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.62
LogP ≤ 55.40
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

4-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
CID 2841375
2,4,6-trichloro-N-[(4-ethylphenyl)methylideneamino]aniline
CID 5223162
4-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]benzonitrile
CID 4231773
N-[(3,4-dichlorophenyl)methylideneamino]-4-methylaniline;hydrochloride
CID 73242933
2,4,6-trichloro-N-(quinoxalin-6-ylmethylideneamino)aniline
CID 4316664
2-methoxy-4-[(Z)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
CID 136853833
2,4,6-trichloro-N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]aniline
CID 5097716
6-chloro-4-N-[(4-methylphenyl)methylideneamino]pyrimidine-2,4-diamine
CID 137318867
N-[(E)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-4-methylaniline
CID 110505520
N-[(4-chlorophenyl)methylideneamino]-6-methyl-1,3-benzothiazol-2-amine
CID 91970272
N-[(E)-(3-chloro-4-propoxyphenyl)methylideneamino]-4-methylaniline
CID 110505514
4-chloro-N-[(Z)-(4-chlorophenyl)methylideneamino]aniline
CID 5463108

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-N-[(Z)-(4-methylphenyl)methylideneamino]aniline?
The IUPAC name of 2,4,6-trichloro-N-[(Z)-(4-methylphenyl)methylideneamino]aniline (CID 6050977) is 2,4,6-trichloro-N-[(Z)-(4-methylphenyl)methylideneamino]aniline.
What is the SMILES notation for 2,4,6-trichloro-N-[(Z)-(4-methylphenyl)methylideneamino]aniline?
The canonical SMILES for 2,4,6-trichloro-N-[(Z)-(4-methylphenyl)methylideneamino]aniline is Cc1ccc(/C=N\Nc2c(Cl)cc(Cl)cc2Cl)cc1.
What is the InChIKey of 2,4,6-trichloro-N-[(Z)-(4-methylphenyl)methylideneamino]aniline?
The InChIKey is NEZAKLIDLWQJBI-LSCVHKIXSA-N. The full InChI is InChI=1S/C14H11Cl3N2/c1-9-2-4-10(5-3-9)8-18-19-14-12(16)6-11(15)7-13(14)17/h2-8,19H,1H3/b18-8-.
What are the key properties of 2,4,6-trichloro-N-[(Z)-(4-methylphenyl)methylideneamino]aniline?
2,4,6-trichloro-N-[(Z)-(4-methylphenyl)methylideneamino]aniline has a molecular weight of 313.62 g/mol, XLogP of 5.40, 3 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-[(Z)-(4-methylphenyl)methylideneamino]aniline is sourced from PubChem (CID 6050977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).