1-(2-methoxyphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine

C16H14Cl3NO — CID 22483125

IUPAC1-(2-methoxyphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine
SMILESCOc1ccccc1/C=N/C(C)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C16H14Cl3NO/c1-10(16-13(18)7-12(17)8-14(16)19)20-9-11-5-3-4-6-15(11)21-2/h3-10H,1-2H3/b20-9+
InChIKeyGKOXZSWJNBSWHF-AWQFTUOYSA-N
MW342.65 g/mol
LogP5.84
Rot. Bonds4

About 1-(2-methoxyphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine

1-(2-methoxyphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine (PubChem CID 22483125) has the molecular formula C16H14Cl3NO and a molecular weight of 342.65 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine
PubChem CID22483125
Molecular FormulaC16H14Cl3NO
Molecular Weight342.65 g/mol
Exact Mass341.01
IUPAC Name1-(2-methoxyphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine
SMILESCOc1ccccc1/C=N/C(C)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C16H14Cl3NO/c1-10(16-13(18)7-12(17)8-14(16)19)20-9-11-5-3-4-6-15(11)21-2/h3-10H,1-2H3/b20-9+
InChIKeyGKOXZSWJNBSWHF-AWQFTUOYSA-N
XLogP5.84
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.65
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-phenoxyphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine
CID 22483201
N-[1-(2-chlorophenyl)ethyl]-1-(2-methoxyphenyl)methanimine
CID 22483144
N-[1-(2,3-dichlorophenyl)ethyl]-1-(2-methoxyphenyl)methanimine
CID 22483399
1-(2-methoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]methanimine
CID 10637187
methyl (2S)-2-[(2-methoxyphenyl)methylideneamino]-3-methylbutanoate
CID 11482060
1-(3-phenoxyphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine
CID 22482993
1-(4-propan-2-ylphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine
CID 22483328
3,4-dichloro-N-[(Z)-(2-methoxyphenyl)methylideneamino]aniline
CID 7979466
1-(2,5-dimethoxyphenyl)-N-[(1S)-1-phenylethyl]methanimine
CID 10849591
2,4-dichloro-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide
CID 5403738
N-[1-(2,3-dichlorophenyl)ethyl]-1-(2-ethoxyphenyl)methanimine
CID 22483121
lithium [(E)-(2-methoxyphenyl)methylideneamino]-methyl-bis(2-methylpropyl)alumanuide
CID 134997042

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine?
The IUPAC name of 1-(2-methoxyphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine (CID 22483125) is 1-(2-methoxyphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine?
The canonical SMILES for 1-(2-methoxyphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine is COc1ccccc1/C=N/C(C)c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 1-(2-methoxyphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine?
The InChIKey is GKOXZSWJNBSWHF-AWQFTUOYSA-N. The full InChI is InChI=1S/C16H14Cl3NO/c1-10(16-13(18)7-12(17)8-14(16)19)20-9-11-5-3-4-6-15(11)21-2/h3-10H,1-2H3/b20-9+.
What are the key properties of 1-(2-methoxyphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine?
1-(2-methoxyphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine has a molecular weight of 342.65 g/mol, XLogP of 5.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine is sourced from PubChem (CID 22483125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).