1-(3-phenoxyphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine

C21H16Cl3NO — CID 22482993

IUPAC1-(3-phenoxyphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine
SMILESCC(/N=C/c1cccc(Oc2ccccc2)c1)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C21H16Cl3NO/c1-14(21-19(23)11-16(22)12-20(21)24)25-13-15-6-5-9-18(10-15)26-17-7-3-2-4-8-17/h2-14H,1H3/b25-13+
InChIKeyZBAPWYDAGJMGSW-DHRITJCHSA-N
MW404.72 g/mol
LogP7.62
Rot. Bonds5

About 1-(3-phenoxyphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine

1-(3-phenoxyphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine (PubChem CID 22482993) has the molecular formula C21H16Cl3NO and a molecular weight of 404.72 g/mol. Its IUPAC name is 1-(3-phenoxyphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine.

Molecular Properties

Compound Name1-(3-phenoxyphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine
PubChem CID22482993
Molecular FormulaC21H16Cl3NO
Molecular Weight404.72 g/mol
Exact Mass403.03
IUPAC Name1-(3-phenoxyphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine
SMILESCC(/N=C/c1cccc(Oc2ccccc2)c1)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C21H16Cl3NO/c1-14(21-19(23)11-16(22)12-20(21)24)25-13-15-6-5-9-18(10-15)26-17-7-3-2-4-8-17/h2-14H,1H3/b25-13+
InChIKeyZBAPWYDAGJMGSW-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-phenoxyphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine
CID 22483201
N-[1-(2,6-dichlorophenyl)ethyl]-1-(3-phenylphenyl)methanimine
CID 22483135
[3-(3,5-dichlorophenoxy)phenyl]methylidenehydrazine
CID 168529070
1-(4-propan-2-ylphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine
CID 22483328
1-(2-methoxyphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine
CID 22483125
N-[1-(3-chlorophenyl)ethyl]-1-(3-phenylmethoxyphenyl)methanimine
CID 22483302
N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-phenoxyphenyl)methanimine
CID 3242741
3-chloro-N-[(3-phenoxyphenyl)methylideneamino]aniline
CID 78597614
3,5-dichloro-N-[(3-phenoxyphenyl)methylideneamino]pyridin-4-amine
CID 3929502
1-(3-methoxyphenyl)-N-propan-2-ylmethanimine
CID 23423541
N-[4-methyl-5-[(3-phenoxyphenyl)methylideneamino]pentyl]-1-(3-phenoxyphenyl)methanimine
CID 54258313
(E)-1-[3-(4-chlorophenoxy)phenyl]-N-(4-methylpiperazin-1-yl)methanimine
CID 42991028

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenoxyphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine?
The IUPAC name of 1-(3-phenoxyphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine (CID 22482993) is 1-(3-phenoxyphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine.
What is the SMILES notation for 1-(3-phenoxyphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine?
The canonical SMILES for 1-(3-phenoxyphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine is CC(/N=C/c1cccc(Oc2ccccc2)c1)c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 1-(3-phenoxyphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine?
The InChIKey is ZBAPWYDAGJMGSW-DHRITJCHSA-N. The full InChI is InChI=1S/C21H16Cl3NO/c1-14(21-19(23)11-16(22)12-20(21)24)25-13-15-6-5-9-18(10-15)26-17-7-3-2-4-8-17/h2-14H,1H3/b25-13+.
What are the key properties of 1-(3-phenoxyphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine?
1-(3-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-(3-phenoxyphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine is sourced from PubChem (CID 22482993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).