1-(4-fluorophenyl)-N-methylethanamine

C9H12FN — CID 5210548

IUPAC1-(4-fluorophenyl)-N-methylethanamine
SMILESCNC(C)c1ccc(F)cc1
InChIInChI=1S/C9H12FN/c1-7(11-2)8-3-5-9(10)6-4-8/h3-7,11H,1-2H3
InChIKeyYORRIBKELCOOIJ-UHFFFAOYSA-N
MW153.20 g/mol
LogP2.11
Rot. Bonds2

About 1-(4-fluorophenyl)-N-methylethanamine

1-(4-fluorophenyl)-N-methylethanamine (PubChem CID 5210548) has the molecular formula C9H12FN and a molecular weight of 153.20 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-methylethanamine
PubChem CID5210548
Molecular FormulaC9H12FN
Molecular Weight153.20 g/mol
Exact Mass153.10
IUPAC Name1-(4-fluorophenyl)-N-methylethanamine
SMILESCNC(C)c1ccc(F)cc1
InChIInChI=1S/C9H12FN/c1-7(11-2)8-3-5-9(10)6-4-8/h3-7,11H,1-2H3
InChIKeyYORRIBKELCOOIJ-UHFFFAOYSA-N
XLogP2.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-methylethanamine?
The IUPAC name of 1-(4-fluorophenyl)-N-methylethanamine (CID 5210548) is 1-(4-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(4-fluorophenyl)-N-methylethanamine is CNC(C)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-methylethanamine?
The InChIKey is YORRIBKELCOOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN/c1-7(11-2)8-3-5-9(10)6-4-8/h3-7,11H,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-N-methylethanamine?
1-(4-fluorophenyl)-N-methylethanamine has a molecular weight of 153.20 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 5210548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).