1-(3-chloro-4-cyclohexylphenyl)-N-(4-fluorophenyl)methanimine

C19H19ClFN — CID 23329220

IUPAC1-(3-chloro-4-cyclohexylphenyl)-N-(4-fluorophenyl)methanimine
SMILESFc1ccc(/N=C/c2ccc(C3CCCCC3)c(Cl)c2)cc1
InChIInChI=1S/C19H19ClFN/c20-19-12-14(13-22-17-9-7-16(21)8-10-17)6-11-18(19)15-4-2-1-3-5-15/h6-13,15H,1-5H2/b22-13+
InChIKeyYLHKZYUGGSPWII-LPYMAVHISA-N
MW315.82 g/mol
LogP6.28
Rot. Bonds3

About 1-(3-chloro-4-cyclohexylphenyl)-N-(4-fluorophenyl)methanimine

1-(3-chloro-4-cyclohexylphenyl)-N-(4-fluorophenyl)methanimine (PubChem CID 23329220) has the molecular formula C19H19ClFN and a molecular weight of 315.82 g/mol. Its IUPAC name is 1-(3-chloro-4-cyclohexylphenyl)-N-(4-fluorophenyl)methanimine.

Molecular Properties

Compound Name1-(3-chloro-4-cyclohexylphenyl)-N-(4-fluorophenyl)methanimine
PubChem CID23329220
Molecular FormulaC19H19ClFN
Molecular Weight315.82 g/mol
Exact Mass315.12
IUPAC Name1-(3-chloro-4-cyclohexylphenyl)-N-(4-fluorophenyl)methanimine
SMILESFc1ccc(/N=C/c2ccc(C3CCCCC3)c(Cl)c2)cc1
InChIInChI=1S/C19H19ClFN/c20-19-12-14(13-22-17-9-7-16(21)8-10-17)6-11-18(19)15-4-2-1-3-5-15/h6-13,15H,1-5H2/b22-13+
InChIKeyYLHKZYUGGSPWII-LPYMAVHISA-N
XLogP6.28
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.82
LogP ≤ 56.28
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 1-(3-chloro-4-cyclohexylphenyl)-N-(4-fluorophenyl)methanimine?
The IUPAC name of 1-(3-chloro-4-cyclohexylphenyl)-N-(4-fluorophenyl)methanimine (CID 23329220) is 1-(3-chloro-4-cyclohexylphenyl)-N-(4-fluorophenyl)methanimine.
What is the SMILES notation for 1-(3-chloro-4-cyclohexylphenyl)-N-(4-fluorophenyl)methanimine?
The canonical SMILES for 1-(3-chloro-4-cyclohexylphenyl)-N-(4-fluorophenyl)methanimine is Fc1ccc(/N=C/c2ccc(C3CCCCC3)c(Cl)c2)cc1.
What is the InChIKey of 1-(3-chloro-4-cyclohexylphenyl)-N-(4-fluorophenyl)methanimine?
The InChIKey is YLHKZYUGGSPWII-LPYMAVHISA-N. The full InChI is InChI=1S/C19H19ClFN/c20-19-12-14(13-22-17-9-7-16(21)8-10-17)6-11-18(19)15-4-2-1-3-5-15/h6-13,15H,1-5H2/b22-13+.
What are the key properties of 1-(3-chloro-4-cyclohexylphenyl)-N-(4-fluorophenyl)methanimine?
1-(3-chloro-4-cyclohexylphenyl)-N-(4-fluorophenyl)methanimine has a molecular weight of 315.82 g/mol, XLogP of 6.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-cyclohexylphenyl)-N-(4-fluorophenyl)methanimine is sourced from PubChem (CID 23329220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).