1-(3-fluoro-5-methylphenyl)-N-(1-phenylethyl)ethanimine

C17H18FN — CID 58819071

IUPAC1-(3-fluoro-5-methylphenyl)-N-(1-phenylethyl)ethanimine
SMILESC/C(=N\C(C)c1ccccc1)c1cc(C)cc(F)c1
InChIInChI=1S/C17H18FN/c1-12-9-16(11-17(18)10-12)14(3)19-13(2)15-7-5-4-6-8-15/h4-11,13H,1-3H3/b19-14+
InChIKeyFHDKNMAUIRJPAR-XMHGGMMESA-N
MW255.34 g/mol
LogP4.70
Rot. Bonds3

About 1-(3-fluoro-5-methylphenyl)-N-(1-phenylethyl)ethanimine

1-(3-fluoro-5-methylphenyl)-N-(1-phenylethyl)ethanimine (PubChem CID 58819071) has the molecular formula C17H18FN and a molecular weight of 255.34 g/mol. Its IUPAC name is 1-(3-fluoro-5-methylphenyl)-N-(1-phenylethyl)ethanimine.

Molecular Properties

Compound Name1-(3-fluoro-5-methylphenyl)-N-(1-phenylethyl)ethanimine
PubChem CID58819071
Molecular FormulaC17H18FN
Molecular Weight255.34 g/mol
Exact Mass255.14
IUPAC Name1-(3-fluoro-5-methylphenyl)-N-(1-phenylethyl)ethanimine
SMILESC/C(=N\C(C)c1ccccc1)c1cc(C)cc(F)c1
InChIInChI=1S/C17H18FN/c1-12-9-16(11-17(18)10-12)14(3)19-13(2)15-7-5-4-6-8-15/h4-11,13H,1-3H3/b19-14+
InChIKeyFHDKNMAUIRJPAR-XMHGGMMESA-N
XLogP4.70
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 54.70
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)ethanimine?
The IUPAC name of 1-(3-fluoro-5-methylphenyl)-N-(1-phenylethyl)ethanimine (CID 58819071) is 1-(3-fluoro-5-methylphenyl)-N-(1-phenylethyl)ethanimine.
What is the SMILES notation for 1-(3-fluoro-5-methylphenyl)-N-(1-phenylethyl)ethanimine?
The canonical SMILES for 1-(3-fluoro-5-methylphenyl)-N-(1-phenylethyl)ethanimine is C/C(=N\C(C)c1ccccc1)c1cc(C)cc(F)c1.
What is the InChIKey of 1-(3-fluoro-5-methylphenyl)-N-(1-phenylethyl)ethanimine?
The InChIKey is FHDKNMAUIRJPAR-XMHGGMMESA-N. The full InChI is InChI=1S/C17H18FN/c1-12-9-16(11-17(18)10-12)14(3)19-13(2)15-7-5-4-6-8-15/h4-11,13H,1-3H3/b19-14+.
What are the key properties of 1-(3-fluoro-5-methylphenyl)-N-(1-phenylethyl)ethanimine?
1-(3-fluoro-5-methylphenyl)-N-(1-phenylethyl)ethanimine has a molecular weight of 255.34 g/mol, XLogP of 4.70, 3 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)ethanimine is sourced from PubChem (CID 58819071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).