N-(3-chlorophenyl)-1-(4-methylphenyl)methanimine

C14H12ClN — CID 525712

IUPACN-(3-chlorophenyl)-1-(4-methylphenyl)methanimine
SMILESCc1ccc(/C=N/c2cccc(Cl)c2)cc1
InChIInChI=1S/C14H12ClN/c1-11-5-7-12(8-6-11)10-16-14-4-2-3-13(15)9-14/h2-10H,1H3/b16-10+
InChIKeyBAGNGESJAKKAKN-MHWRWJLKSA-N
MW229.71 g/mol
LogP4.40
Rot. Bonds2

About N-(3-chlorophenyl)-1-(4-methylphenyl)methanimine

N-(3-chlorophenyl)-1-(4-methylphenyl)methanimine (PubChem CID 525712) has the molecular formula C14H12ClN and a molecular weight of 229.71 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1-(4-methylphenyl)methanimine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1-(4-methylphenyl)methanimine
PubChem CID525712
Molecular FormulaC14H12ClN
Molecular Weight229.71 g/mol
Exact Mass229.07
IUPAC NameN-(3-chlorophenyl)-1-(4-methylphenyl)methanimine
SMILESCc1ccc(/C=N/c2cccc(Cl)c2)cc1
InChIInChI=1S/C14H12ClN/c1-11-5-7-12(8-6-11)10-16-14-4-2-3-13(15)9-14/h2-10H,1H3/b16-10+
InChIKeyBAGNGESJAKKAKN-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-(3-chlorophenyl)-1-(4-methylphenyl)methanimine?
The IUPAC name of N-(3-chlorophenyl)-1-(4-methylphenyl)methanimine (CID 525712) is N-(3-chlorophenyl)-1-(4-methylphenyl)methanimine.
What is the SMILES notation for N-(3-chlorophenyl)-1-(4-methylphenyl)methanimine?
The canonical SMILES for N-(3-chlorophenyl)-1-(4-methylphenyl)methanimine is Cc1ccc(/C=N/c2cccc(Cl)c2)cc1.
What is the InChIKey of N-(3-chlorophenyl)-1-(4-methylphenyl)methanimine?
The InChIKey is BAGNGESJAKKAKN-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H12ClN/c1-11-5-7-12(8-6-11)10-16-14-4-2-3-13(15)9-14/h2-10H,1H3/b16-10+.
What are the key properties of N-(3-chlorophenyl)-1-(4-methylphenyl)methanimine?
N-(3-chlorophenyl)-1-(4-methylphenyl)methanimine 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-(3-chlorophenyl)-1-(4-methylphenyl)methanimine is sourced from PubChem (CID 525712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).