N-(2-chloro-6-methylphenyl)-1-phenylmethanimine

C14H12ClN — CID 5152819

IUPACN-(2-chloro-6-methylphenyl)-1-phenylmethanimine
SMILESCc1cccc(Cl)c1/N=C/c1ccccc1
InChIInChI=1S/C14H12ClN/c1-11-6-5-9-13(15)14(11)16-10-12-7-3-2-4-8-12/h2-10H,1H3/b16-10+
InChIKeyZOPYKXVATFHNMS-MHWRWJLKSA-N
MW229.71 g/mol
LogP4.40
Rot. Bonds2

About N-(2-chloro-6-methylphenyl)-1-phenylmethanimine

N-(2-chloro-6-methylphenyl)-1-phenylmethanimine (PubChem CID 5152819) has the molecular formula C14H12ClN and a molecular weight of 229.71 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-1-phenylmethanimine.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-1-phenylmethanimine
PubChem CID5152819
Molecular FormulaC14H12ClN
Molecular Weight229.71 g/mol
Exact Mass229.07
IUPAC NameN-(2-chloro-6-methylphenyl)-1-phenylmethanimine
SMILESCc1cccc(Cl)c1/N=C/c1ccccc1
InChIInChI=1S/C14H12ClN/c1-11-6-5-9-13(15)14(11)16-10-12-7-3-2-4-8-12/h2-10H,1H3/b16-10+
InChIKeyZOPYKXVATFHNMS-MHWRWJLKSA-N
XLogP4.40
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 54.40
H-Bond Donors ≤ 50
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 N-(2-chloro-6-methylphenyl)-1-phenylmethanimine?
The IUPAC name of N-(2-chloro-6-methylphenyl)-1-phenylmethanimine (CID 5152819) is N-(2-chloro-6-methylphenyl)-1-phenylmethanimine.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-1-phenylmethanimine?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-1-phenylmethanimine is Cc1cccc(Cl)c1/N=C/c1ccccc1.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-1-phenylmethanimine?
The InChIKey is ZOPYKXVATFHNMS-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H12ClN/c1-11-6-5-9-13(15)14(11)16-10-12-7-3-2-4-8-12/h2-10H,1H3/b16-10+.
What are the key properties of N-(2-chloro-6-methylphenyl)-1-phenylmethanimine?
N-(2-chloro-6-methylphenyl)-1-phenylmethanimine has a molecular weight of 229.71 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-1-phenylmethanimine is sourced from PubChem (CID 5152819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).