(2,6-dichlorophenyl)-phenylmethanimine

C13H9Cl2N — CID 3247956

IUPAC(2,6-dichlorophenyl)-phenylmethanimine
SMILES[H]/N=C(\c1ccccc1)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H9Cl2N/c14-10-7-4-8-11(15)12(10)13(16)9-5-2-1-3-6-9/h1-8,16H/b16-13+
InChIKeyPOMZQAIPPIEXQY-DTQAZKPQSA-N
MW250.13 g/mol
LogP4.41
Rot. Bonds2

About (2,6-dichlorophenyl)-phenylmethanimine

(2,6-dichlorophenyl)-phenylmethanimine (PubChem CID 3247956) has the molecular formula C13H9Cl2N and a molecular weight of 250.13 g/mol. Its IUPAC name is (2,6-dichlorophenyl)-phenylmethanimine.

Molecular Properties

Compound Name(2,6-dichlorophenyl)-phenylmethanimine
PubChem CID3247956
Molecular FormulaC13H9Cl2N
Molecular Weight250.13 g/mol
Exact Mass249.01
IUPAC Name(2,6-dichlorophenyl)-phenylmethanimine
SMILES[H]/N=C(\c1ccccc1)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H9Cl2N/c14-10-7-4-8-11(15)12(10)13(16)9-5-2-1-3-6-9/h1-8,16H/b16-13+
InChIKeyPOMZQAIPPIEXQY-DTQAZKPQSA-N
XLogP4.41
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.13
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)-phenylmethanimine?
The IUPAC name of (2,6-dichlorophenyl)-phenylmethanimine (CID 3247956) is (2,6-dichlorophenyl)-phenylmethanimine.
What is the SMILES notation for (2,6-dichlorophenyl)-phenylmethanimine?
The canonical SMILES for (2,6-dichlorophenyl)-phenylmethanimine is [H]/N=C(\c1ccccc1)c1c(Cl)cccc1Cl.
What is the InChIKey of (2,6-dichlorophenyl)-phenylmethanimine?
The InChIKey is POMZQAIPPIEXQY-DTQAZKPQSA-N. The full InChI is InChI=1S/C13H9Cl2N/c14-10-7-4-8-11(15)12(10)13(16)9-5-2-1-3-6-9/h1-8,16H/b16-13+.
What are the key properties of (2,6-dichlorophenyl)-phenylmethanimine?
(2,6-dichlorophenyl)-phenylmethanimine has a molecular weight of 250.13 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)-phenylmethanimine is sourced from PubChem (CID 3247956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).