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

C21H16Cl3NO — CID 22483201

IUPAC1-(2-phenoxyphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine
SMILESCC(/N=C/c1ccccc1Oc1ccccc1)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C21H16Cl3NO/c1-14(21-18(23)11-16(22)12-19(21)24)25-13-15-7-5-6-10-20(15)26-17-8-3-2-4-9-17/h2-14H,1H3/b25-13+
InChIKeyJMQFDQKRRVTJKL-DHRITJCHSA-N
MW404.72 g/mol
LogP7.62
Rot. Bonds5

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

1-(2-phenoxyphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine (PubChem CID 22483201) has the molecular formula C21H16Cl3NO and a molecular weight of 404.72 g/mol. Its IUPAC name is 1-(2-phenoxyphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine.

Molecular Properties

Compound Name1-(2-phenoxyphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine
PubChem CID22483201
Molecular FormulaC21H16Cl3NO
Molecular Weight404.72 g/mol
Exact Mass403.03
IUPAC Name1-(2-phenoxyphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine
SMILESCC(/N=C/c1ccccc1Oc1ccccc1)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C21H16Cl3NO/c1-14(21-18(23)11-16(22)12-19(21)24)25-13-15-7-5-6-10-20(15)26-17-8-3-2-4-9-17/h2-14H,1H3/b25-13+
InChIKeyJMQFDQKRRVTJKL-DHRITJCHSA-N
XLogP7.62
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.72
LogP ≤ 57.62
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-methoxyphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine
CID 22483125
1-(3-phenoxyphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine
CID 22482993
N-[1-(2-chlorophenyl)ethyl]-1-(2-methoxyphenyl)methanimine
CID 22483144
1-(4-propan-2-ylphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine
CID 22483328
N-[1-(2,3-dichlorophenyl)ethyl]-1-(2-methoxyphenyl)methanimine
CID 22483399
N-[1-(2,4-dichlorophenyl)ethyl]-1-(2-phenylphenyl)methanimine
CID 22483294
N-[1-(2,3-dichlorophenyl)ethyl]-1-(2-ethoxyphenyl)methanimine
CID 22483121
N-[1-(2,6-dichlorophenyl)ethyl]-1-(3-phenylphenyl)methanimine
CID 22483135
azane;1-chloro-2-phenoxybenzene
CID 68980819
1-chloro-2-methyl-3-phenoxybenzene
CID 54026510
2-chloro-6-phenoxybenzaldehyde
CID 18663602
1-(2,5-dimethoxyphenyl)-N-[(1S)-1-phenylethyl]methanimine
CID 10849591

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenoxyphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine?
The IUPAC name of 1-(2-phenoxyphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine (CID 22483201) is 1-(2-phenoxyphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine.
What is the SMILES notation for 1-(2-phenoxyphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine?
The canonical SMILES for 1-(2-phenoxyphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine is CC(/N=C/c1ccccc1Oc1ccccc1)c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 1-(2-phenoxyphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine?
The InChIKey is JMQFDQKRRVTJKL-DHRITJCHSA-N. The full InChI is InChI=1S/C21H16Cl3NO/c1-14(21-18(23)11-16(22)12-19(21)24)25-13-15-7-5-6-10-20(15)26-17-8-3-2-4-9-17/h2-14H,1H3/b25-13+.
What are the key properties of 1-(2-phenoxyphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine?
1-(2-phenoxyphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine has a molecular weight of 404.72 g/mol, XLogP of 7.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenoxyphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine is sourced from PubChem (CID 22483201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).