2-chloro-N-(2,6-dimethylphenyl)ethanimine

C10H12ClN — CID 101094271

IUPAC2-chloro-N-(2,6-dimethylphenyl)ethanimine
SMILESCc1cccc(C)c1/N=C/CCl
InChIInChI=1S/C10H12ClN/c1-8-4-3-5-9(2)10(8)12-7-6-11/h3-5,7H,6H2,1-2H3/b12-7+
InChIKeyWDLFFSVCQGPMGV-KPKJPENVSA-N
MW181.67 g/mol
LogP3.24
Rot. Bonds2

About 2-chloro-N-(2,6-dimethylphenyl)ethanimine

2-chloro-N-(2,6-dimethylphenyl)ethanimine (PubChem CID 101094271) has the molecular formula C10H12ClN and a molecular weight of 181.67 g/mol. Its IUPAC name is 2-chloro-N-(2,6-dimethylphenyl)ethanimine.

Molecular Properties

Compound Name2-chloro-N-(2,6-dimethylphenyl)ethanimine
PubChem CID101094271
Molecular FormulaC10H12ClN
Molecular Weight181.67 g/mol
Exact Mass181.07
IUPAC Name2-chloro-N-(2,6-dimethylphenyl)ethanimine
SMILESCc1cccc(C)c1/N=C/CCl
InChIInChI=1S/C10H12ClN/c1-8-4-3-5-9(2)10(8)12-7-6-11/h3-5,7H,6H2,1-2H3/b12-7+
InChIKeyWDLFFSVCQGPMGV-KPKJPENVSA-N
XLogP3.24
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.67
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dimethylphenyl)ethanimine
CID 10993945
N,N'-bis(2,6-dimethylphenyl)ethane-1,2-diimine;carbanide;nickel
CID 59881388
acetylene;N-(2,6-dimethylphenyl)ethanimine
CID 142169551
dichloroiron;N-(2,6-dimethylphenyl)-1-[5-[(2,6-dimethylphenyl)iminomethyl]thiophen-2-yl]methanimine
CID 20701898
dichloroiron;2-N-(2,6-dimethylphenyl)-1-N-[2-(2,6-dimethylphenyl)iminoethyl]propane-1,2-diimine
CID 18718489
(E)-N-(2,6-dimethylphenyl)but-2-en-1-imine
CID 12818328
N'-(2,6-dimethylphenyl)-N-[2-[(2,6-dimethylphenyl)iminomethyl]phenyl]methanimidamide
CID 102486072
N-(2,6-dimethylphenyl)-6-[2-(2,6-dimethylphenyl)iminoethyl]pyridin-2-amine
CID 126613582
N-(2,6-dimethylphenyl)-6-[2-(2,6-dimethylphenyl)iminoethyl]cyclohexa-2,4-dien-1-imine
CID 126613562
dichloro-(2,6-dimethylphenyl)iminovanadium
CID 11258603
butane;N-(2,6-dimethylphenyl)ethanimine;ethane;formaldehyde;1,4-xylene
CID 143995996
(2,6-dimethylphenyl)iminotitanium(2+)
CID 11384908

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,6-dimethylphenyl)ethanimine?
The IUPAC name of 2-chloro-N-(2,6-dimethylphenyl)ethanimine (CID 101094271) is 2-chloro-N-(2,6-dimethylphenyl)ethanimine.
What is the SMILES notation for 2-chloro-N-(2,6-dimethylphenyl)ethanimine?
The canonical SMILES for 2-chloro-N-(2,6-dimethylphenyl)ethanimine is Cc1cccc(C)c1/N=C/CCl.
What is the InChIKey of 2-chloro-N-(2,6-dimethylphenyl)ethanimine?
The InChIKey is WDLFFSVCQGPMGV-KPKJPENVSA-N. The full InChI is InChI=1S/C10H12ClN/c1-8-4-3-5-9(2)10(8)12-7-6-11/h3-5,7H,6H2,1-2H3/b12-7+.
What are the key properties of 2-chloro-N-(2,6-dimethylphenyl)ethanimine?
2-chloro-N-(2,6-dimethylphenyl)ethanimine has a molecular weight of 181.67 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,6-dimethylphenyl)ethanimine is sourced from PubChem (CID 101094271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).