N-[1-(2,3-dichlorophenyl)ethyl]-1-(2-ethoxyphenyl)methanimine

C17H17Cl2NO — CID 22483121

IUPACN-[1-(2,3-dichlorophenyl)ethyl]-1-(2-ethoxyphenyl)methanimine
SMILESCCOc1ccccc1/C=N/C(C)c1cccc(Cl)c1Cl
InChIInChI=1S/C17H17Cl2NO/c1-3-21-16-10-5-4-7-13(16)11-20-12(2)14-8-6-9-15(18)17(14)19/h4-12H,3H2,1-2H3/b20-11+
InChIKeyCWFZBECONQZHNW-RGVLZGJSSA-N
MW322.24 g/mol
LogP5.57
Rot. Bonds5

About N-[1-(2,3-dichlorophenyl)ethyl]-1-(2-ethoxyphenyl)methanimine

N-[1-(2,3-dichlorophenyl)ethyl]-1-(2-ethoxyphenyl)methanimine (PubChem CID 22483121) has the molecular formula C17H17Cl2NO and a molecular weight of 322.24 g/mol. Its IUPAC name is N-[1-(2,3-dichlorophenyl)ethyl]-1-(2-ethoxyphenyl)methanimine.

Molecular Properties

Compound NameN-[1-(2,3-dichlorophenyl)ethyl]-1-(2-ethoxyphenyl)methanimine
PubChem CID22483121
Molecular FormulaC17H17Cl2NO
Molecular Weight322.24 g/mol
Exact Mass321.07
IUPAC NameN-[1-(2,3-dichlorophenyl)ethyl]-1-(2-ethoxyphenyl)methanimine
SMILESCCOc1ccccc1/C=N/C(C)c1cccc(Cl)c1Cl
InChIInChI=1S/C17H17Cl2NO/c1-3-21-16-10-5-4-7-13(16)11-20-12(2)14-8-6-9-15(18)17(14)19/h4-12H,3H2,1-2H3/b20-11+
InChIKeyCWFZBECONQZHNW-RGVLZGJSSA-N
XLogP5.57
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.24
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2,3-dichlorophenyl)ethyl]-1-(2-methoxyphenyl)methanimine
CID 22483399
N-[1-(2-chlorophenyl)ethyl]-1-(2-methoxyphenyl)methanimine
CID 22483144
1-(2-methoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]methanimine
CID 10637187
(E)-N-ethoxy-1-(2-ethoxyphenyl)methanimine
CID 134892743
2-ethoxy-6-[1-(4-fluorophenyl)ethyliminomethyl]phenol
CID 135657510
2-chloro-N-[(2-ethoxyphenyl)methylideneamino]benzamide
CID 904314
1-(3-chloro-2-ethoxyphenyl)-N-methylmethanimine
CID 58692463
1-(2-ethoxyphenyl)-N-phenylmethanimine
CID 961492
4-chloro-N-[(Z)-(2-ethoxyphenyl)methylideneamino]aniline
CID 7992354
1-(2-methoxyphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine
CID 22483125
3-chloro-N-[(2-ethoxyphenyl)methylideneamino]aniline
CID 78597618
2-chloro-1-ethenyl-3-ethoxybenzene
CID 19358720

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dichlorophenyl)ethyl]-1-(2-ethoxyphenyl)methanimine?
The IUPAC name of N-[1-(2,3-dichlorophenyl)ethyl]-1-(2-ethoxyphenyl)methanimine (CID 22483121) is N-[1-(2,3-dichlorophenyl)ethyl]-1-(2-ethoxyphenyl)methanimine.
What is the SMILES notation for N-[1-(2,3-dichlorophenyl)ethyl]-1-(2-ethoxyphenyl)methanimine?
The canonical SMILES for N-[1-(2,3-dichlorophenyl)ethyl]-1-(2-ethoxyphenyl)methanimine is CCOc1ccccc1/C=N/C(C)c1cccc(Cl)c1Cl.
What is the InChIKey of N-[1-(2,3-dichlorophenyl)ethyl]-1-(2-ethoxyphenyl)methanimine?
The InChIKey is CWFZBECONQZHNW-RGVLZGJSSA-N. The full InChI is InChI=1S/C17H17Cl2NO/c1-3-21-16-10-5-4-7-13(16)11-20-12(2)14-8-6-9-15(18)17(14)19/h4-12H,3H2,1-2H3/b20-11+.
What are the key properties of N-[1-(2,3-dichlorophenyl)ethyl]-1-(2-ethoxyphenyl)methanimine?
N-[1-(2,3-dichlorophenyl)ethyl]-1-(2-ethoxyphenyl)methanimine has a molecular weight of 322.24 g/mol, XLogP of 5.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dichlorophenyl)ethyl]-1-(2-ethoxyphenyl)methanimine is sourced from PubChem (CID 22483121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).