N-methoxy-5-phenylmethoxy-4-(2,4,5-trichlorophenoxy)pentan-1-imine

C19H20Cl3NO3 — CID 175039862

IUPACN-methoxy-5-phenylmethoxy-4-(2,4,5-trichlorophenoxy)pentan-1-imine
SMILESCON=CCCC(COCc1ccccc1)Oc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C19H20Cl3NO3/c1-24-23-9-5-8-15(13-25-12-14-6-3-2-4-7-14)26-19-11-17(21)16(20)10-18(19)22/h2-4,6-7,9-11,15H,5,8,12-13H2,1H3
InChIKeyAGRIROTYWQEEJD-UHFFFAOYSA-N
MW416.73 g/mol
LogP6.02
Rot. Bonds10

About N-methoxy-5-phenylmethoxy-4-(2,4,5-trichlorophenoxy)pentan-1-imine

N-methoxy-5-phenylmethoxy-4-(2,4,5-trichlorophenoxy)pentan-1-imine (PubChem CID 175039862) has the molecular formula C19H20Cl3NO3 and a molecular weight of 416.73 g/mol. Its IUPAC name is N-methoxy-5-phenylmethoxy-4-(2,4,5-trichlorophenoxy)pentan-1-imine.

Molecular Properties

Compound NameN-methoxy-5-phenylmethoxy-4-(2,4,5-trichlorophenoxy)pentan-1-imine
PubChem CID175039862
Molecular FormulaC19H20Cl3NO3
Molecular Weight416.73 g/mol
Exact Mass415.05
IUPAC NameN-methoxy-5-phenylmethoxy-4-(2,4,5-trichlorophenoxy)pentan-1-imine
SMILESCON=CCCC(COCc1ccccc1)Oc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C19H20Cl3NO3/c1-24-23-9-5-8-15(13-25-12-14-6-3-2-4-7-14)26-19-11-17(21)16(20)10-18(19)22/h2-4,6-7,9-11,15H,5,8,12-13H2,1H3
InChIKeyAGRIROTYWQEEJD-UHFFFAOYSA-N
XLogP6.02
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.73
LogP ≤ 56.02
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-methoxy-5-phenylmethoxy-4-(2,4,5-trichlorophenoxy)pentan-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E,2R,3R,4R)-2-fluoro-N-methoxy-3,5-bis(phenylmethoxy)-4-(2,4,5-trichlorophenoxy)pentan-1-imine
CID 118108932
N-methoxy-3-phenylpropan-1-imine
CID 73200493
(2R,3R,4R,5E)-5-methoxyimino-1,3,4-tris(phenylmethoxy)pentan-2-ol
CID 118108863
(2-hydroperoxy-3-phenylmethoxypropoxy)methylbenzene
CID 12994155
(2S)-2-phenoxy-3-phenylmethoxypropan-1-ol
CID 22831407
[(2S)-2-ethenylhexoxy]methylbenzene
CID 50898080
(2R,3R,4R)-4-fluoro-5-methoxyimino-1,3-bis(phenylmethoxy)pentan-2-ol
CID 131734110
(E,5S)-5-methoxy-6-phenylmethoxyhex-2-en-1-ol
CID 135076282
(2S)-2-methyl-5-phenylmethoxypentanal
CID 11218003
[(2R)-1-chloro-3-phenylmethoxypropan-2-yl]oxy-trimethylsilane
CID 71446134
(2-benzyl-3-phenylmethoxypropoxy)methylbenzene
CID 139384668
3-[(1R)-1-(3-chloro-2-methylphenoxy)-2-phenylmethoxyethyl]pyrrolidine
CID 66860125

Frequently Asked Questions

What is the IUPAC name of N-methoxy-5-phenylmethoxy-4-(2,4,5-trichlorophenoxy)pentan-1-imine?
The IUPAC name of N-methoxy-5-phenylmethoxy-4-(2,4,5-trichlorophenoxy)pentan-1-imine (CID 175039862) is N-methoxy-5-phenylmethoxy-4-(2,4,5-trichlorophenoxy)pentan-1-imine.
What is the SMILES notation for N-methoxy-5-phenylmethoxy-4-(2,4,5-trichlorophenoxy)pentan-1-imine?
The canonical SMILES for N-methoxy-5-phenylmethoxy-4-(2,4,5-trichlorophenoxy)pentan-1-imine is CON=CCCC(COCc1ccccc1)Oc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of N-methoxy-5-phenylmethoxy-4-(2,4,5-trichlorophenoxy)pentan-1-imine?
The InChIKey is AGRIROTYWQEEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl3NO3/c1-24-23-9-5-8-15(13-25-12-14-6-3-2-4-7-14)26-19-11-17(21)16(20)10-18(19)22/h2-4,6-7,9-11,15H,5,8,12-13H2,1H3.
What are the key properties of N-methoxy-5-phenylmethoxy-4-(2,4,5-trichlorophenoxy)pentan-1-imine?
N-methoxy-5-phenylmethoxy-4-(2,4,5-trichlorophenoxy)pentan-1-imine has a molecular weight of 416.73 g/mol, XLogP of 6.02, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-5-phenylmethoxy-4-(2,4,5-trichlorophenoxy)pentan-1-imine is sourced from PubChem (CID 175039862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).