2-(2,6-dichlorophenyl)ethanimine

C8H7Cl2N — CID 57206389

IUPAC2-(2,6-dichlorophenyl)ethanimine
SMILES[H]/N=C/Cc1c(Cl)cccc1Cl
InChIInChI=1S/C8H7Cl2N/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3,5,11H,4H2/b11-5+
InChIKeyVTAKMUIPFCLUPZ-VZUCSPMQSA-N
MW188.06 g/mol
LogP3.19
Rot. Bonds2

About 2-(2,6-dichlorophenyl)ethanimine

2-(2,6-dichlorophenyl)ethanimine (PubChem CID 57206389) has the molecular formula C8H7Cl2N and a molecular weight of 188.06 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)ethanimine.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)ethanimine
PubChem CID57206389
Molecular FormulaC8H7Cl2N
Molecular Weight188.06 g/mol
Exact Mass187.00
IUPAC Name2-(2,6-dichlorophenyl)ethanimine
SMILES[H]/N=C/Cc1c(Cl)cccc1Cl
InChIInChI=1S/C8H7Cl2N/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3,5,11H,4H2/b11-5+
InChIKeyVTAKMUIPFCLUPZ-VZUCSPMQSA-N
XLogP3.19
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.06
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-dichlorophenyl)ethanimidamide chloride
CID 45108783
(2,3-dichlorophenyl)methanimine
CID 21094549
2-[2-(2,6-dichlorophenyl)ethylideneamino]guanidine
CID 140896130
2-(2,6-dichlorophenyl)-N,N-dimethylethanimidamide
CID 63179561
1,3-dichloro-2-[(2,6-dichlorophenyl)methylselanylmethyl]benzene
CID 139083206
(2,6-dichlorophenyl)methyl thiohypochlorite
CID 141002030
2-(2,6-dichlorophenyl)ethylazanium
CID 6951285
1,3-dichloro-2-(nitrosomethyl)benzene
CID 54118768
1-(2,6-dichlorophenyl)-N-methylmethanamine;ethane
CID 142839804
2-amino-3-(2,6-dichlorophenyl)propan-1-ol
CID 18387991
N-[5-(2,6-dichlorophenyl)pent-3-enyl]cyclopropanamine
CID 79593450
1-[(2,6-dichlorophenyl)methyl]pyrrole
CID 63811760

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)ethanimine?
The IUPAC name of 2-(2,6-dichlorophenyl)ethanimine (CID 57206389) is 2-(2,6-dichlorophenyl)ethanimine.
What is the SMILES notation for 2-(2,6-dichlorophenyl)ethanimine?
The canonical SMILES for 2-(2,6-dichlorophenyl)ethanimine is [H]/N=C/Cc1c(Cl)cccc1Cl.
What is the InChIKey of 2-(2,6-dichlorophenyl)ethanimine?
The InChIKey is VTAKMUIPFCLUPZ-VZUCSPMQSA-N. The full InChI is InChI=1S/C8H7Cl2N/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3,5,11H,4H2/b11-5+.
What are the key properties of 2-(2,6-dichlorophenyl)ethanimine?
2-(2,6-dichlorophenyl)ethanimine has a molecular weight of 188.06 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)ethanimine is sourced from PubChem (CID 57206389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).