1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]ethanimine

C16H16ClNO — CID 54300862

IUPAC1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]ethanimine
SMILESCOc1ccc(C/N=C(\C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H16ClNO/c1-12(14-5-7-15(17)8-6-14)18-11-13-3-9-16(19-2)10-4-13/h3-10H,11H2,1-2H3/b18-12+
InChIKeySEBGXBIFLIOQBH-LDADJPATSA-N
MW273.76 g/mol
LogP4.36
Rot. Bonds4

About 1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]ethanimine

1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]ethanimine (PubChem CID 54300862) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]ethanimine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]ethanimine
PubChem CID54300862
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC Name1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]ethanimine
SMILESCOc1ccc(C/N=C(\C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H16ClNO/c1-12(14-5-7-15(17)8-6-14)18-11-13-3-9-16(19-2)10-4-13/h3-10H,11H2,1-2H3/b18-12+
InChIKeySEBGXBIFLIOQBH-LDADJPATSA-N
XLogP4.36
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 54.36
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-[(4-methoxyphenyl)methyl]ethanimine?
The IUPAC name of 1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]ethanimine (CID 54300862) is 1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]ethanimine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]ethanimine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]ethanimine is COc1ccc(C/N=C(\C)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]ethanimine?
The InChIKey is SEBGXBIFLIOQBH-LDADJPATSA-N. The full InChI is InChI=1S/C16H16ClNO/c1-12(14-5-7-15(17)8-6-14)18-11-13-3-9-16(19-2)10-4-13/h3-10H,11H2,1-2H3/b18-12+.
What are the key properties of 1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]ethanimine?
1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]ethanimine has a molecular weight of 273.76 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]ethanimine is sourced from PubChem (CID 54300862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).