N-(2,4,5-trichlorophenyl)-1-(3,4,5-trimethoxyphenyl)methanimine

C16H14Cl3NO3 — CID 5165015

IUPACN-(2,4,5-trichlorophenyl)-1-(3,4,5-trimethoxyphenyl)methanimine
SMILESCOc1cc(/C=N/c2cc(Cl)c(Cl)cc2Cl)cc(OC)c1OC
InChIInChI=1S/C16H14Cl3NO3/c1-21-14-4-9(5-15(22-2)16(14)23-3)8-20-13-7-11(18)10(17)6-12(13)19/h4-8H,1-3H3/b20-8+
InChIKeyUDSPHJPPKOWBLA-DNTJNYDQSA-N
MW374.65 g/mol
LogP5.42
Rot. Bonds5

About N-(2,4,5-trichlorophenyl)-1-(3,4,5-trimethoxyphenyl)methanimine

N-(2,4,5-trichlorophenyl)-1-(3,4,5-trimethoxyphenyl)methanimine (PubChem CID 5165015) has the molecular formula C16H14Cl3NO3 and a molecular weight of 374.65 g/mol. Its IUPAC name is N-(2,4,5-trichlorophenyl)-1-(3,4,5-trimethoxyphenyl)methanimine.

Molecular Properties

Compound NameN-(2,4,5-trichlorophenyl)-1-(3,4,5-trimethoxyphenyl)methanimine
PubChem CID5165015
Molecular FormulaC16H14Cl3NO3
Molecular Weight374.65 g/mol
Exact Mass373.00
IUPAC NameN-(2,4,5-trichlorophenyl)-1-(3,4,5-trimethoxyphenyl)methanimine
SMILESCOc1cc(/C=N/c2cc(Cl)c(Cl)cc2Cl)cc(OC)c1OC
InChIInChI=1S/C16H14Cl3NO3/c1-21-14-4-9(5-15(22-2)16(14)23-3)8-20-13-7-11(18)10(17)6-12(13)19/h4-8H,1-3H3/b20-8+
InChIKeyUDSPHJPPKOWBLA-DNTJNYDQSA-N
XLogP5.42
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.65
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-5-[(2,4,5-trichlorophenyl)iminomethyl]phenol
CID 968357
N-(2,5-difluorophenyl)-1-(3,4,5-trimethoxyphenyl)methanimine
CID 2358363
1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(2,4,5-trichlorophenyl)methanimine
CID 23738779
N-[4-[[2,5-dichloro-4-(dimethylaminomethylideneamino)phenyl]iminomethyl]phenyl]-3,4,5-trimethoxybenzamide
CID 20517401
chlorocopper;2-propan-2-yl-6-[(3,4,5-trimethoxyphenyl)methylideneamino]phenol
CID 58615876
1-[4-[(2R)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]-N-(2,4-dichlorophenyl)methanimine
CID 126389107
2,4-dichloro-6-[[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]methyl]phenol
CID 2796783
1-[4-[(2S)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]-N-(2-chlorophenyl)methanimine
CID 126386568
N-[4-[(3,4,5-trimethoxyphenyl)methylideneamino]phenyl]acetamide
CID 694284
1-(3,4,5-trimethoxyphenyl)-N-[3-[(3,4,5-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazol-5-yl]methanimine
CID 57259187
3-[(3,4,5-trimethoxyphenyl)methylideneamino]chromen-2-one
CID 71419783
N-[(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-N'-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxamide
CID 21214231

Frequently Asked Questions

What is the IUPAC name of N-(2,4,5-trichlorophenyl)-1-(3,4,5-trimethoxyphenyl)methanimine?
The IUPAC name of N-(2,4,5-trichlorophenyl)-1-(3,4,5-trimethoxyphenyl)methanimine (CID 5165015) is N-(2,4,5-trichlorophenyl)-1-(3,4,5-trimethoxyphenyl)methanimine.
What is the SMILES notation for N-(2,4,5-trichlorophenyl)-1-(3,4,5-trimethoxyphenyl)methanimine?
The canonical SMILES for N-(2,4,5-trichlorophenyl)-1-(3,4,5-trimethoxyphenyl)methanimine is COc1cc(/C=N/c2cc(Cl)c(Cl)cc2Cl)cc(OC)c1OC.
What is the InChIKey of N-(2,4,5-trichlorophenyl)-1-(3,4,5-trimethoxyphenyl)methanimine?
The InChIKey is UDSPHJPPKOWBLA-DNTJNYDQSA-N. The full InChI is InChI=1S/C16H14Cl3NO3/c1-21-14-4-9(5-15(22-2)16(14)23-3)8-20-13-7-11(18)10(17)6-12(13)19/h4-8H,1-3H3/b20-8+.
What are the key properties of N-(2,4,5-trichlorophenyl)-1-(3,4,5-trimethoxyphenyl)methanimine?
N-(2,4,5-trichlorophenyl)-1-(3,4,5-trimethoxyphenyl)methanimine has a molecular weight of 374.65 g/mol, XLogP of 5.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,5-trichlorophenyl)-1-(3,4,5-trimethoxyphenyl)methanimine is sourced from PubChem (CID 5165015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).