(E)-1-(2,6-dichlorophenyl)-N-phenoxymethanimine

C13H9Cl2NO — CID 11184682

IUPAC(E)-1-(2,6-dichlorophenyl)-N-phenoxymethanimine
SMILESClc1cccc(Cl)c1/C=N/Oc1ccccc1
InChIInChI=1S/C13H9Cl2NO/c14-12-7-4-8-13(15)11(12)9-16-17-10-5-2-1-3-6-10/h1-9H/b16-9+
InChIKeySAPDOMDPBKPXBR-CXUHLZMHSA-N
MW266.13 g/mol
LogP4.41
Rot. Bonds3

About (E)-1-(2,6-dichlorophenyl)-N-phenoxymethanimine

(E)-1-(2,6-dichlorophenyl)-N-phenoxymethanimine (PubChem CID 11184682) has the molecular formula C13H9Cl2NO and a molecular weight of 266.13 g/mol. Its IUPAC name is (E)-1-(2,6-dichlorophenyl)-N-phenoxymethanimine.

Molecular Properties

Compound Name(E)-1-(2,6-dichlorophenyl)-N-phenoxymethanimine
PubChem CID11184682
Molecular FormulaC13H9Cl2NO
Molecular Weight266.13 g/mol
Exact Mass265.01
IUPAC Name(E)-1-(2,6-dichlorophenyl)-N-phenoxymethanimine
SMILESClc1cccc(Cl)c1/C=N/Oc1ccccc1
InChIInChI=1S/C13H9Cl2NO/c14-12-7-4-8-13(15)11(12)9-16-17-10-5-2-1-3-6-10/h1-9H/b16-9+
InChIKeySAPDOMDPBKPXBR-CXUHLZMHSA-N
XLogP4.41
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.13
LogP ≤ 54.41
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'}

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Related Compounds

4-[(E)-(2,6-dichlorophenyl)methylideneamino]oxybenzoic acid
CID 11174345
(Z)-1-(4-chlorophenyl)-N-phenoxymethanimine
CID 5368892
(E)-1-(2,6-dichlorophenyl)-N-[2-(trifluoromethyl)phenoxy]methanimine
CID 11450448
2-[(Z)-(2,6-dichlorophenyl)methylideneamino]oxyethanamine
CID 88522933
[(E)-(2,6-dichlorophenyl)methylideneamino] acetate
CID 165348151
4-[(2,6-dichlorophenyl)methylideneamino]-N-phenylaniline
CID 4506432
N-phenoxy-1-pyridin-2-ylmethanimine
CID 54492053
1-(2,6-dichlorophenyl)-N-(4-phenyldiazenylphenyl)methanimine
CID 4505752
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-N-methylaniline
CID 7584047
3-chloro-2-[(Z)-methoxyiminomethyl]aniline
CID 59916365
2-chloro-6-phenoxybenzaldehyde
CID 18663602
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-4-(phenoxymethyl)benzamide
CID 8518234

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2,6-dichlorophenyl)-N-phenoxymethanimine?
The IUPAC name of (E)-1-(2,6-dichlorophenyl)-N-phenoxymethanimine (CID 11184682) is (E)-1-(2,6-dichlorophenyl)-N-phenoxymethanimine.
What is the SMILES notation for (E)-1-(2,6-dichlorophenyl)-N-phenoxymethanimine?
The canonical SMILES for (E)-1-(2,6-dichlorophenyl)-N-phenoxymethanimine is Clc1cccc(Cl)c1/C=N/Oc1ccccc1.
What is the InChIKey of (E)-1-(2,6-dichlorophenyl)-N-phenoxymethanimine?
The InChIKey is SAPDOMDPBKPXBR-CXUHLZMHSA-N. The full InChI is InChI=1S/C13H9Cl2NO/c14-12-7-4-8-13(15)11(12)9-16-17-10-5-2-1-3-6-10/h1-9H/b16-9+.
What are the key properties of (E)-1-(2,6-dichlorophenyl)-N-phenoxymethanimine?
(E)-1-(2,6-dichlorophenyl)-N-phenoxymethanimine has a molecular weight of 266.13 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2,6-dichlorophenyl)-N-phenoxymethanimine is sourced from PubChem (CID 11184682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).