N-[1-(2-chlorophenyl)ethyl]-1-(4-methylphenyl)methanimine

C16H16ClN — CID 22483225

IUPACN-[1-(2-chlorophenyl)ethyl]-1-(4-methylphenyl)methanimine
SMILESCc1ccc(/C=N/C(C)c2ccccc2Cl)cc1
InChIInChI=1S/C16H16ClN/c1-12-7-9-14(10-8-12)11-18-13(2)15-5-3-4-6-16(15)17/h3-11,13H,1-2H3/b18-11+
InChIKeyVOAFJEXXYONKHG-WOJGMQOQSA-N
MW257.76 g/mol
LogP4.83
Rot. Bonds3

About N-[1-(2-chlorophenyl)ethyl]-1-(4-methylphenyl)methanimine

N-[1-(2-chlorophenyl)ethyl]-1-(4-methylphenyl)methanimine (PubChem CID 22483225) has the molecular formula C16H16ClN and a molecular weight of 257.76 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-1-(4-methylphenyl)methanimine.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-1-(4-methylphenyl)methanimine
PubChem CID22483225
Molecular FormulaC16H16ClN
Molecular Weight257.76 g/mol
Exact Mass257.10
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-1-(4-methylphenyl)methanimine
SMILESCc1ccc(/C=N/C(C)c2ccccc2Cl)cc1
InChIInChI=1S/C16H16ClN/c1-12-7-9-14(10-8-12)11-18-13(2)15-5-3-4-6-16(15)17/h3-11,13H,1-2H3/b18-11+
InChIKeyVOAFJEXXYONKHG-WOJGMQOQSA-N
XLogP4.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-chlorophenyl)ethyl]-1-(4-phenylphenyl)methanimine
CID 22483010
N-[1-(2-chlorophenyl)ethyl]-1-(2,4,6-trimethylphenyl)methanimine
CID 22483401
N-[1-(2-chlorophenyl)ethyl]-1-(2-methoxyphenyl)methanimine
CID 22483144
1-chloro-2-[(4-methylphenyl)sulfonyl-nitrosomethyl]benzene
CID 54519335
N-[(1S)-1-naphthalen-1-ylethyl]-1-phenylmethanimine
CID 139081062
(1R,2R)-2-[(4-methylphenyl)methylideneamino]-1-phenylpropan-1-ol
CID 101116812
(R)-(2-chlorophenyl)-(4-methylphenyl)methanol
CID 7107251
1-(4-propan-2-ylphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine
CID 22483328
N-[1-(2,3-dichlorophenyl)ethyl]-1-(2-methoxyphenyl)methanimine
CID 22483399
1-naphthalen-2-yl-N-[(1S)-1-naphthalen-1-ylethyl]methanimine
CID 139062261
1-(2-chlorophenyl)-N-[(4-methylphenyl)methyl]ethanamine
CID 22483034
N-[1-(2,4-dichlorophenyl)ethyl]-1-(2-phenylphenyl)methanimine
CID 22483294

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-1-(4-methylphenyl)methanimine?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-1-(4-methylphenyl)methanimine (CID 22483225) is N-[1-(2-chlorophenyl)ethyl]-1-(4-methylphenyl)methanimine.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-1-(4-methylphenyl)methanimine?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-1-(4-methylphenyl)methanimine is Cc1ccc(/C=N/C(C)c2ccccc2Cl)cc1.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-1-(4-methylphenyl)methanimine?
The InChIKey is VOAFJEXXYONKHG-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H16ClN/c1-12-7-9-14(10-8-12)11-18-13(2)15-5-3-4-6-16(15)17/h3-11,13H,1-2H3/b18-11+.
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-1-(4-methylphenyl)methanimine?
N-[1-(2-chlorophenyl)ethyl]-1-(4-methylphenyl)methanimine has a molecular weight of 257.76 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-1-(4-methylphenyl)methanimine is sourced from PubChem (CID 22483225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).