1-(2,4-dichlorophenyl)-N-phenylmethoxymethanimine

C14H11Cl2NO — CID 75981018

IUPAC1-(2,4-dichlorophenyl)-N-phenylmethoxymethanimine
SMILESClc1ccc(C=NOCc2ccccc2)c(Cl)c1
InChIInChI=1S/C14H11Cl2NO/c15-13-7-6-12(14(16)8-13)9-17-18-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKeySNLBPGBKPVDTEE-UHFFFAOYSA-N
MW280.15 g/mol
LogP4.54
Rot. Bonds4

About 1-(2,4-dichlorophenyl)-N-phenylmethoxymethanimine

1-(2,4-dichlorophenyl)-N-phenylmethoxymethanimine (PubChem CID 75981018) has the molecular formula C14H11Cl2NO and a molecular weight of 280.15 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-phenylmethoxymethanimine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-phenylmethoxymethanimine
PubChem CID75981018
Molecular FormulaC14H11Cl2NO
Molecular Weight280.15 g/mol
Exact Mass279.02
IUPAC Name1-(2,4-dichlorophenyl)-N-phenylmethoxymethanimine
SMILESClc1ccc(C=NOCc2ccccc2)c(Cl)c1
InChIInChI=1S/C14H11Cl2NO/c15-13-7-6-12(14(16)8-13)9-17-18-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKeySNLBPGBKPVDTEE-UHFFFAOYSA-N
XLogP4.54
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.15
LogP ≤ 54.54
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

N-[(2-chloro-6-fluorophenyl)methoxy]-1-(2,4-dichlorophenyl)methanimine
CID 2804487
(E)-1-(2,6-dichlorophenyl)-N-phenoxymethanimine
CID 11184682
(Z)-1-(4-chlorophenyl)-N-[(4-fluorophenyl)methoxy]methanimine
CID 52891529
(Z)-1-(4-chlorophenyl)-N-[(4-chlorophenyl)methoxy]methanimine
CID 95704521
Benzaldehyde, 4-chloro-, O-phenyloxime
CID 9602385
O-benzyl 4-chlorobenzaldoxime
CID 73110771
O-benzyl 3-chlorobenzaldoxime
CID 75852286
O-benzyl 2-chlorobenzaldoxime
CID 75981000
(E)-1-(4-chlorophenyl)-N-phenylmethoxyethanimine
CID 134963336
(E)-N-[(2-chloro-6-fluorophenyl)methoxy]-1-(2,4-dichlorophenyl)methanimine
CID 9583452
1-(4-chlorophenyl)-N-[(4-fluorophenyl)methoxy]methanimine
CID 75981129
N-[(2-chlorophenyl)methoxy]-1-(3-fluorophenyl)methanimine
CID 75981151

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-phenylmethoxymethanimine?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-phenylmethoxymethanimine (CID 75981018) is 1-(2,4-dichlorophenyl)-N-phenylmethoxymethanimine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-phenylmethoxymethanimine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-phenylmethoxymethanimine is Clc1ccc(C=NOCc2ccccc2)c(Cl)c1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-phenylmethoxymethanimine?
The InChIKey is SNLBPGBKPVDTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO/c15-13-7-6-12(14(16)8-13)9-17-18-10-11-4-2-1-3-5-11/h1-9H,10H2.
What are the key properties of 1-(2,4-dichlorophenyl)-N-phenylmethoxymethanimine?
1-(2,4-dichlorophenyl)-N-phenylmethoxymethanimine has a molecular weight of 280.15 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-phenylmethoxymethanimine is sourced from PubChem (CID 75981018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).