1-(4-chlorophenyl)-N-(2-methoxyphenyl)methanimine

C14H12ClNO — CID 4078586

IUPAC1-(4-chlorophenyl)-N-(2-methoxyphenyl)methanimine
SMILESCOc1ccccc1/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C14H12ClNO/c1-17-14-5-3-2-4-13(14)16-10-11-6-8-12(15)9-7-11/h2-10H,1H3/b16-10+
InChIKeyONBLXTICRAXPDX-MHWRWJLKSA-N
MW245.71 g/mol
LogP4.10
Rot. Bonds3

About 1-(4-chlorophenyl)-N-(2-methoxyphenyl)methanimine

1-(4-chlorophenyl)-N-(2-methoxyphenyl)methanimine (PubChem CID 4078586) has the molecular formula C14H12ClNO and a molecular weight of 245.71 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(2-methoxyphenyl)methanimine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(2-methoxyphenyl)methanimine
PubChem CID4078586
Molecular FormulaC14H12ClNO
Molecular Weight245.71 g/mol
Exact Mass245.06
IUPAC Name1-(4-chlorophenyl)-N-(2-methoxyphenyl)methanimine
SMILESCOc1ccccc1/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C14H12ClNO/c1-17-14-5-3-2-4-13(14)16-10-11-6-8-12(15)9-7-11/h2-10H,1H3/b16-10+
InChIKeyONBLXTICRAXPDX-MHWRWJLKSA-N
XLogP4.10
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-(4-chlorophenyl)-N-(2-methoxyphenyl)methanimine?
The IUPAC name of 1-(4-chlorophenyl)-N-(2-methoxyphenyl)methanimine (CID 4078586) is 1-(4-chlorophenyl)-N-(2-methoxyphenyl)methanimine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(2-methoxyphenyl)methanimine?
The canonical SMILES for 1-(4-chlorophenyl)-N-(2-methoxyphenyl)methanimine is COc1ccccc1/N=C/c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(2-methoxyphenyl)methanimine?
The InChIKey is ONBLXTICRAXPDX-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H12ClNO/c1-17-14-5-3-2-4-13(14)16-10-11-6-8-12(15)9-7-11/h2-10H,1H3/b16-10+.
What are the key properties of 1-(4-chlorophenyl)-N-(2-methoxyphenyl)methanimine?
1-(4-chlorophenyl)-N-(2-methoxyphenyl)methanimine has a molecular weight of 245.71 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(2-methoxyphenyl)methanimine is sourced from PubChem (CID 4078586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).