1-(3-fluoro-4-methylphenyl)-N-methylethanimine

C10H12FN — CID 123896098

IUPAC1-(3-fluoro-4-methylphenyl)-N-methylethanimine
SMILESC/N=C(\C)c1ccc(C)c(F)c1
InChIInChI=1S/C10H12FN/c1-7-4-5-9(6-10(7)11)8(2)12-3/h4-6H,1-3H3/b12-8+
InChIKeyODMSZAKBNCPNNQ-XYOKQWHBSA-N
MW165.21 g/mol
LogP2.57
Rot. Bonds1

About 1-(3-fluoro-4-methylphenyl)-N-methylethanimine

1-(3-fluoro-4-methylphenyl)-N-methylethanimine (PubChem CID 123896098) has the molecular formula C10H12FN and a molecular weight of 165.21 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-N-methylethanimine.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-N-methylethanimine
PubChem CID123896098
Molecular FormulaC10H12FN
Molecular Weight165.21 g/mol
Exact Mass165.10
IUPAC Name1-(3-fluoro-4-methylphenyl)-N-methylethanimine
SMILESC/N=C(\C)c1ccc(C)c(F)c1
InChIInChI=1S/C10H12FN/c1-7-4-5-9(6-10(7)11)8(2)12-3/h4-6H,1-3H3/b12-8+
InChIKeyODMSZAKBNCPNNQ-XYOKQWHBSA-N
XLogP2.57
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 52.57
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-4-methylphenyl)-N-methylethanimine?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-N-methylethanimine (CID 123896098) is 1-(3-fluoro-4-methylphenyl)-N-methylethanimine.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-N-methylethanimine?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-N-methylethanimine is C/N=C(\C)c1ccc(C)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-N-methylethanimine?
The InChIKey is ODMSZAKBNCPNNQ-XYOKQWHBSA-N. The full InChI is InChI=1S/C10H12FN/c1-7-4-5-9(6-10(7)11)8(2)12-3/h4-6H,1-3H3/b12-8+.
What are the key properties of 1-(3-fluoro-4-methylphenyl)-N-methylethanimine?
1-(3-fluoro-4-methylphenyl)-N-methylethanimine has a molecular weight of 165.21 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-N-methylethanimine is sourced from PubChem (CID 123896098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).