2-(2-chlorophenyl)-N-methoxy-1,2-diphenylethanimine

C21H18ClNO — CID 173102523

IUPAC2-(2-chlorophenyl)-N-methoxy-1,2-diphenylethanimine
SMILESCON=C(c1ccccc1)C(c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C21H18ClNO/c1-24-23-21(17-12-6-3-7-13-17)20(16-10-4-2-5-11-16)18-14-8-9-15-19(18)22/h2-15,20H,1H3
InChIKeyZWJWMJCDMWLMQX-UHFFFAOYSA-N
MW335.83 g/mol
LogP5.52
Rot. Bonds5

About 2-(2-chlorophenyl)-N-methoxy-1,2-diphenylethanimine

2-(2-chlorophenyl)-N-methoxy-1,2-diphenylethanimine (PubChem CID 173102523) has the molecular formula C21H18ClNO and a molecular weight of 335.83 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-methoxy-1,2-diphenylethanimine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-methoxy-1,2-diphenylethanimine
PubChem CID173102523
Molecular FormulaC21H18ClNO
Molecular Weight335.83 g/mol
Exact Mass335.11
IUPAC Name2-(2-chlorophenyl)-N-methoxy-1,2-diphenylethanimine
SMILESCON=C(c1ccccc1)C(c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C21H18ClNO/c1-24-23-21(17-12-6-3-7-13-17)20(16-10-4-2-5-11-16)18-14-8-9-15-19(18)22/h2-15,20H,1H3
InChIKeyZWJWMJCDMWLMQX-UHFFFAOYSA-N
XLogP5.52
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.83
LogP ≤ 55.52
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

(2Z)-2-methoxyimino-1,2-diphenylethanol
CID 10922703
[(Z)-1,2,2-triphenylethylideneamino] acetate
CID 53467016
2-[(S)-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-phenylmethyl]phenol
CID 122234675
1-benzhydryl-2-chlorobenzene;methane
CID 159179204
1-chloro-2-[(1S)-1-phenylpropyl]benzene
CID 126732807
(NZ)-N-(2-naphthalen-1-yl-1,2-diphenylethylidene)hydroxylamine
CID 134924754
1-chloro-2-[(2E)-2-ethenyl-1-phenylpenta-2,4-dienyl]benzene
CID 134482693
1-(2-chlorophenyl)-2-phenylbutan-1-ol
CID 114980516
(2R)-2-(2-chlorophenyl)-2-methoxyacetic acid
CID 91331586
1-[(E)-3-bromo-1,3-diphenylprop-2-enyl]-2-chlorobenzene
CID 46185842
N'-methoxybenzenecarboximidamide
CID 10678407
(2S,3S)-3-(2-chlorophenyl)-3-hydroxy-2-methyl-1-phenylpropan-1-one
CID 11846439

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-methoxy-1,2-diphenylethanimine?
The IUPAC name of 2-(2-chlorophenyl)-N-methoxy-1,2-diphenylethanimine (CID 173102523) is 2-(2-chlorophenyl)-N-methoxy-1,2-diphenylethanimine.
What is the SMILES notation for 2-(2-chlorophenyl)-N-methoxy-1,2-diphenylethanimine?
The canonical SMILES for 2-(2-chlorophenyl)-N-methoxy-1,2-diphenylethanimine is CON=C(c1ccccc1)C(c1ccccc1)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-N-methoxy-1,2-diphenylethanimine?
The InChIKey is ZWJWMJCDMWLMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClNO/c1-24-23-21(17-12-6-3-7-13-17)20(16-10-4-2-5-11-16)18-14-8-9-15-19(18)22/h2-15,20H,1H3.
What are the key properties of 2-(2-chlorophenyl)-N-methoxy-1,2-diphenylethanimine?
2-(2-chlorophenyl)-N-methoxy-1,2-diphenylethanimine has a molecular weight of 335.83 g/mol, XLogP of 5.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-methoxy-1,2-diphenylethanimine is sourced from PubChem (CID 173102523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).