(E)-1-(3-chlorophenyl)-N-[(4-chlorophenyl)methoxy]propan-1-imine

C16H15Cl2NO — CID 89317369

IUPAC(E)-1-(3-chlorophenyl)-N-[(4-chlorophenyl)methoxy]propan-1-imine
SMILESCC/C(=N\OCc1ccc(Cl)cc1)c1cccc(Cl)c1
InChIInChI=1S/C16H15Cl2NO/c1-2-16(13-4-3-5-15(18)10-13)19-20-11-12-6-8-14(17)9-7-12/h3-10H,2,11H2,1H3/b19-16+
InChIKeyYXEUCCDNVIBTQW-KNTRCKAVSA-N
MW308.21 g/mol
LogP5.32
Rot. Bonds5

About (E)-1-(3-chlorophenyl)-N-[(4-chlorophenyl)methoxy]propan-1-imine

(E)-1-(3-chlorophenyl)-N-[(4-chlorophenyl)methoxy]propan-1-imine (PubChem CID 89317369) has the molecular formula C16H15Cl2NO and a molecular weight of 308.21 g/mol. Its IUPAC name is (E)-1-(3-chlorophenyl)-N-[(4-chlorophenyl)methoxy]propan-1-imine.

Molecular Properties

Compound Name(E)-1-(3-chlorophenyl)-N-[(4-chlorophenyl)methoxy]propan-1-imine
PubChem CID89317369
Molecular FormulaC16H15Cl2NO
Molecular Weight308.21 g/mol
Exact Mass307.05
IUPAC Name(E)-1-(3-chlorophenyl)-N-[(4-chlorophenyl)methoxy]propan-1-imine
SMILESCC/C(=N\OCc1ccc(Cl)cc1)c1cccc(Cl)c1
InChIInChI=1S/C16H15Cl2NO/c1-2-16(13-4-3-5-15(18)10-13)19-20-11-12-6-8-14(17)9-7-12/h3-10H,2,11H2,1H3/b19-16+
InChIKeyYXEUCCDNVIBTQW-KNTRCKAVSA-N
XLogP5.32
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.21
LogP ≤ 55.32
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

2-(3-chlorophenyl)-2-methoxyiminoethanol
CID 54343986
N-[[4-[[(Z)-1-(4-chlorophenyl)propylideneamino]oxymethyl]phenyl]carbamoyl]-2,6-difluorobenzamide
CID 88671840
N-[4-chloro-2-[N-[(4-chlorophenyl)methoxy]-C-ethylcarbonimidoyl]phenyl]-N-(trifluoromethylsulfonyl)acetamide
CID 76839251
2-[1-(3-chlorophenyl)propylideneamino]guanidine
CID 76872531
N-[(4-bromophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]propan-1-imine
CID 123957835
(4Z)-4-(3-chlorophenyl)-4-methoxyiminobutanoic acid
CID 44622472
1-(3-chlorophenyl)-2-[(4-chlorophenyl)methoxy]ethanone
CID 65126242
CID 172952844
CID 172952844
N-[(E)-1-(3-chlorophenyl)propylideneamino]-2-(4-methoxyphenyl)acetamide
CID 6004384
1-(3-chlorophenyl)-N-[(5-chlorothiophen-2-yl)methoxy]ethanimine
CID 141141529
N-[(E)-1-(3-chlorophenyl)propylideneamino]-2-phenylacetamide
CID 6258037
(E)-N-[(4-chlorophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]-1-phenylmethanimine
CID 88957318

Frequently Asked Questions

What is the IUPAC name of (E)-1-(3-chlorophenyl)-N-[(4-chlorophenyl)methoxy]propan-1-imine?
The IUPAC name of (E)-1-(3-chlorophenyl)-N-[(4-chlorophenyl)methoxy]propan-1-imine (CID 89317369) is (E)-1-(3-chlorophenyl)-N-[(4-chlorophenyl)methoxy]propan-1-imine.
What is the SMILES notation for (E)-1-(3-chlorophenyl)-N-[(4-chlorophenyl)methoxy]propan-1-imine?
The canonical SMILES for (E)-1-(3-chlorophenyl)-N-[(4-chlorophenyl)methoxy]propan-1-imine is CC/C(=N\OCc1ccc(Cl)cc1)c1cccc(Cl)c1.
What is the InChIKey of (E)-1-(3-chlorophenyl)-N-[(4-chlorophenyl)methoxy]propan-1-imine?
The InChIKey is YXEUCCDNVIBTQW-KNTRCKAVSA-N. The full InChI is InChI=1S/C16H15Cl2NO/c1-2-16(13-4-3-5-15(18)10-13)19-20-11-12-6-8-14(17)9-7-12/h3-10H,2,11H2,1H3/b19-16+.
What are the key properties of (E)-1-(3-chlorophenyl)-N-[(4-chlorophenyl)methoxy]propan-1-imine?
(E)-1-(3-chlorophenyl)-N-[(4-chlorophenyl)methoxy]propan-1-imine has a molecular weight of 308.21 g/mol, XLogP of 5.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3-chlorophenyl)-N-[(4-chlorophenyl)methoxy]propan-1-imine is sourced from PubChem (CID 89317369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).