1-(3-fluoro-5-methylphenyl)-N-(1-phenylethyl)pentan-1-imine

C20H24FN — CID 58819057

IUPAC1-(3-fluoro-5-methylphenyl)-N-(1-phenylethyl)pentan-1-imine
SMILESCCCC/C(=N\C(C)c1ccccc1)c1cc(C)cc(F)c1
InChIInChI=1S/C20H24FN/c1-4-5-11-20(18-12-15(2)13-19(21)14-18)22-16(3)17-9-7-6-8-10-17/h6-10,12-14,16H,4-5,11H2,1-3H3/b22-20+
InChIKeyHCZRCFXYAULNIM-LSDHQDQOSA-N
MW297.42 g/mol
LogP5.87
Rot. Bonds6

About 1-(3-fluoro-5-methylphenyl)-N-(1-phenylethyl)pentan-1-imine

1-(3-fluoro-5-methylphenyl)-N-(1-phenylethyl)pentan-1-imine (PubChem CID 58819057) has the molecular formula C20H24FN and a molecular weight of 297.42 g/mol. Its IUPAC name is 1-(3-fluoro-5-methylphenyl)-N-(1-phenylethyl)pentan-1-imine.

Molecular Properties

Compound Name1-(3-fluoro-5-methylphenyl)-N-(1-phenylethyl)pentan-1-imine
PubChem CID58819057
Molecular FormulaC20H24FN
Molecular Weight297.42 g/mol
Exact Mass297.19
IUPAC Name1-(3-fluoro-5-methylphenyl)-N-(1-phenylethyl)pentan-1-imine
SMILESCCCC/C(=N\C(C)c1ccccc1)c1cc(C)cc(F)c1
InChIInChI=1S/C20H24FN/c1-4-5-11-20(18-12-15(2)13-19(21)14-18)22-16(3)17-9-7-6-8-10-17/h6-10,12-14,16H,4-5,11H2,1-3H3/b22-20+
InChIKeyHCZRCFXYAULNIM-LSDHQDQOSA-N
XLogP5.87
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.42
LogP ≤ 55.87
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-fluoro-5-methylphenyl)-N-(1-phenylethyl)pentan-1-imine?
The IUPAC name of 1-(3-fluoro-5-methylphenyl)-N-(1-phenylethyl)pentan-1-imine (CID 58819057) is 1-(3-fluoro-5-methylphenyl)-N-(1-phenylethyl)pentan-1-imine.
What is the SMILES notation for 1-(3-fluoro-5-methylphenyl)-N-(1-phenylethyl)pentan-1-imine?
The canonical SMILES for 1-(3-fluoro-5-methylphenyl)-N-(1-phenylethyl)pentan-1-imine is CCCC/C(=N\C(C)c1ccccc1)c1cc(C)cc(F)c1.
What is the InChIKey of 1-(3-fluoro-5-methylphenyl)-N-(1-phenylethyl)pentan-1-imine?
The InChIKey is HCZRCFXYAULNIM-LSDHQDQOSA-N. The full InChI is InChI=1S/C20H24FN/c1-4-5-11-20(18-12-15(2)13-19(21)14-18)22-16(3)17-9-7-6-8-10-17/h6-10,12-14,16H,4-5,11H2,1-3H3/b22-20+.
What are the key properties of 1-(3-fluoro-5-methylphenyl)-N-(1-phenylethyl)pentan-1-imine?
1-(3-fluoro-5-methylphenyl)-N-(1-phenylethyl)pentan-1-imine has a molecular weight of 297.42 g/mol, XLogP of 5.87, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-methylphenyl)-N-(1-phenylethyl)pentan-1-imine is sourced from PubChem (CID 58819057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).