1-(3,5-dichloro-2-phenylmethoxyphenyl)-N-methylmethanimine oxide

C15H13Cl2NO2 — CID 20850887

IUPAC1-(3,5-dichloro-2-phenylmethoxyphenyl)-N-methylmethanimine oxide
SMILESC/[N+]([O-])=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1
InChIInChI=1S/C15H13Cl2NO2/c1-18(19)9-12-7-13(16)8-14(17)15(12)20-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3/b18-9+
InChIKeyRGIPWUKOXIZAML-GIJQJNRQSA-N
MW310.18 g/mol
LogP4.13
Rot. Bonds4

About 1-(3,5-dichloro-2-phenylmethoxyphenyl)-N-methylmethanimine oxide

1-(3,5-dichloro-2-phenylmethoxyphenyl)-N-methylmethanimine oxide (PubChem CID 20850887) has the molecular formula C15H13Cl2NO2 and a molecular weight of 310.18 g/mol. Its IUPAC name is 1-(3,5-dichloro-2-phenylmethoxyphenyl)-N-methylmethanimine oxide.

Molecular Properties

Compound Name1-(3,5-dichloro-2-phenylmethoxyphenyl)-N-methylmethanimine oxide
PubChem CID20850887
Molecular FormulaC15H13Cl2NO2
Molecular Weight310.18 g/mol
Exact Mass309.03
IUPAC Name1-(3,5-dichloro-2-phenylmethoxyphenyl)-N-methylmethanimine oxide
SMILESC/[N+]([O-])=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1
InChIInChI=1S/C15H13Cl2NO2/c1-18(19)9-12-7-13(16)8-14(17)15(12)20-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3/b18-9+
InChIKeyRGIPWUKOXIZAML-GIJQJNRQSA-N
XLogP4.13
TPSA35.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1,5-dichloro-3-(cyclopropylidenemethyl)-2-phenylmethoxybenzene
CID 102467504
3,5-dichloro-2-(phenylmethoxymethoxy)benzaldehyde
CID 102939681
dimethyl 2-[[3,5-dichloro-2-[(4-nitrophenyl)methoxy]phenyl]methylidene]propanedioate
CID 126052607
2-[(4-tert-butylphenyl)methoxy]-3,5-dichlorobenzaldehyde
CID 129323176
1-(3,5-dichloro-2-phenylmethoxyphenyl)propan-2-amine
CID 60907532
3,5-dichloro-2-(2-phenylethoxy)benzaldehyde
CID 18353665
5-chloro-3-nitro-2-phenylmethoxyphenol;ethane
CID 143239378
4-chloro-2-methyl-3-phenylmethoxypyridin-1-ium chloride
CID 70353014
(E)-3-(3,5-dichloro-4-phenylmethoxyphenyl)-2-methylprop-2-enoic acid
CID 170873346
1-(3-chloro-5-fluoro-4-phenylmethoxyphenyl)ethanamine
CID 117448854
(5Z)-5-[(3,5-dichloro-2-phenylmethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 137069537
1-(3,5-dichloro-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)methanimine
CID 126209246

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-2-phenylmethoxyphenyl)-N-methylmethanimine oxide?
The IUPAC name of 1-(3,5-dichloro-2-phenylmethoxyphenyl)-N-methylmethanimine oxide (CID 20850887) is 1-(3,5-dichloro-2-phenylmethoxyphenyl)-N-methylmethanimine oxide.
What is the SMILES notation for 1-(3,5-dichloro-2-phenylmethoxyphenyl)-N-methylmethanimine oxide?
The canonical SMILES for 1-(3,5-dichloro-2-phenylmethoxyphenyl)-N-methylmethanimine oxide is C/[N+]([O-])=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1.
What is the InChIKey of 1-(3,5-dichloro-2-phenylmethoxyphenyl)-N-methylmethanimine oxide?
The InChIKey is RGIPWUKOXIZAML-GIJQJNRQSA-N. The full InChI is InChI=1S/C15H13Cl2NO2/c1-18(19)9-12-7-13(16)8-14(17)15(12)20-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3/b18-9+.
What are the key properties of 1-(3,5-dichloro-2-phenylmethoxyphenyl)-N-methylmethanimine oxide?
1-(3,5-dichloro-2-phenylmethoxyphenyl)-N-methylmethanimine oxide has a molecular weight of 310.18 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-2-phenylmethoxyphenyl)-N-methylmethanimine oxide is sourced from PubChem (CID 20850887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).