1-(2-fluoro-5-methylphenyl)-N-phenylmethanimine

C14H12FN — CID 23340883

IUPAC1-(2-fluoro-5-methylphenyl)-N-phenylmethanimine
SMILESCc1ccc(F)c(/C=N/c2ccccc2)c1
InChIInChI=1S/C14H12FN/c1-11-7-8-14(15)12(9-11)10-16-13-5-3-2-4-6-13/h2-10H,1H3/b16-10+
InChIKeySDCUTTLUIOHBMF-MHWRWJLKSA-N
MW213.25 g/mol
LogP3.88
Rot. Bonds2

About 1-(2-fluoro-5-methylphenyl)-N-phenylmethanimine

1-(2-fluoro-5-methylphenyl)-N-phenylmethanimine (PubChem CID 23340883) has the molecular formula C14H12FN and a molecular weight of 213.25 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylphenyl)-N-phenylmethanimine.

Molecular Properties

Compound Name1-(2-fluoro-5-methylphenyl)-N-phenylmethanimine
PubChem CID23340883
Molecular FormulaC14H12FN
Molecular Weight213.25 g/mol
Exact Mass213.10
IUPAC Name1-(2-fluoro-5-methylphenyl)-N-phenylmethanimine
SMILESCc1ccc(F)c(/C=N/c2ccccc2)c1
InChIInChI=1S/C14H12FN/c1-11-7-8-14(15)12(9-11)10-16-13-5-3-2-4-6-13/h2-10H,1H3/b16-10+
InChIKeySDCUTTLUIOHBMF-MHWRWJLKSA-N
XLogP3.88
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 53.88
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-(2-fluoro-5-methylphenyl)-N-phenylmethanimine?
The IUPAC name of 1-(2-fluoro-5-methylphenyl)-N-phenylmethanimine (CID 23340883) is 1-(2-fluoro-5-methylphenyl)-N-phenylmethanimine.
What is the SMILES notation for 1-(2-fluoro-5-methylphenyl)-N-phenylmethanimine?
The canonical SMILES for 1-(2-fluoro-5-methylphenyl)-N-phenylmethanimine is Cc1ccc(F)c(/C=N/c2ccccc2)c1.
What is the InChIKey of 1-(2-fluoro-5-methylphenyl)-N-phenylmethanimine?
The InChIKey is SDCUTTLUIOHBMF-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H12FN/c1-11-7-8-14(15)12(9-11)10-16-13-5-3-2-4-6-13/h2-10H,1H3/b16-10+.
What are the key properties of 1-(2-fluoro-5-methylphenyl)-N-phenylmethanimine?
1-(2-fluoro-5-methylphenyl)-N-phenylmethanimine has a molecular weight of 213.25 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methylphenyl)-N-phenylmethanimine is sourced from PubChem (CID 23340883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).