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

C17H16Cl3NO2 — CID 22483253

IUPAC1-(3,4-dimethoxyphenyl)-N-[1-(2,3,4-trichlorophenyl)ethyl]methanimine
SMILESCOc1ccc(/C=N/C(C)c2ccc(Cl)c(Cl)c2Cl)cc1OC
InChIInChI=1S/C17H16Cl3NO2/c1-10(12-5-6-13(18)17(20)16(12)19)21-9-11-4-7-14(22-2)15(8-11)23-3/h4-10H,1-3H3/b21-9+
InChIKeyUSVXNWVRAYYKGC-ZVBGSRNCSA-N
MW372.68 g/mol
LogP5.84
Rot. Bonds5

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

1-(3,4-dimethoxyphenyl)-N-[1-(2,3,4-trichlorophenyl)ethyl]methanimine (PubChem CID 22483253) has the molecular formula C17H16Cl3NO2 and a molecular weight of 372.68 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-[1-(2,3,4-trichlorophenyl)ethyl]methanimine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-[1-(2,3,4-trichlorophenyl)ethyl]methanimine
PubChem CID22483253
Molecular FormulaC17H16Cl3NO2
Molecular Weight372.68 g/mol
Exact Mass371.02
IUPAC Name1-(3,4-dimethoxyphenyl)-N-[1-(2,3,4-trichlorophenyl)ethyl]methanimine
SMILESCOc1ccc(/C=N/C(C)c2ccc(Cl)c(Cl)c2Cl)cc1OC
InChIInChI=1S/C17H16Cl3NO2/c1-10(12-5-6-13(18)17(20)16(12)19)21-9-11-4-7-14(22-2)15(8-11)23-3/h4-10H,1-3H3/b21-9+
InChIKeyUSVXNWVRAYYKGC-ZVBGSRNCSA-N
XLogP5.84
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.68
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2,3-dichlorophenyl)ethyl]-1-(2-methoxyphenyl)methanimine
CID 22483399
(Z)-1-(3,4-dimethoxyphenyl)-N-methoxymethanimine
CID 5375403
(3-methoxy-4-propan-2-yloxyphenyl)methylidenehydrazine
CID 168529581
4-chloro-N-[(E)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]aniline
CID 110506176
(2S)-2-[4-[(2,3-dichlorophenyl)iminomethyl]-2-methoxyphenoxy]propanoic acid
CID 126017625
N-(2,5-dichlorophenyl)-2-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxyacetamide
CID 7668894
N-[1-(2-chlorophenyl)ethyl]-1-(2-methoxyphenyl)methanimine
CID 22483144
[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazine
CID 78678912
2,4-dichloro-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]benzamide
CID 6036717
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-2-(2,4-dichlorophenoxy)propanamide
CID 5097247
(2E)-5-[(3,4-dichlorophenyl)methyl]-2-[(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135845562
2-(2,5-dichlorophenoxy)-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]acetamide
CID 19189966

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-[1-(2,3,4-trichlorophenyl)ethyl]methanimine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-[1-(2,3,4-trichlorophenyl)ethyl]methanimine (CID 22483253) is 1-(3,4-dimethoxyphenyl)-N-[1-(2,3,4-trichlorophenyl)ethyl]methanimine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-[1-(2,3,4-trichlorophenyl)ethyl]methanimine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-[1-(2,3,4-trichlorophenyl)ethyl]methanimine is COc1ccc(/C=N/C(C)c2ccc(Cl)c(Cl)c2Cl)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-[1-(2,3,4-trichlorophenyl)ethyl]methanimine?
The InChIKey is USVXNWVRAYYKGC-ZVBGSRNCSA-N. The full InChI is InChI=1S/C17H16Cl3NO2/c1-10(12-5-6-13(18)17(20)16(12)19)21-9-11-4-7-14(22-2)15(8-11)23-3/h4-10H,1-3H3/b21-9+.
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-[1-(2,3,4-trichlorophenyl)ethyl]methanimine?
1-(3,4-dimethoxyphenyl)-N-[1-(2,3,4-trichlorophenyl)ethyl]methanimine has a molecular weight of 372.68 g/mol, XLogP of 5.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N-[1-(2,3,4-trichlorophenyl)ethyl]methanimine is sourced from PubChem (CID 22483253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).