[3-(2-fluorocyclopropyl)phenyl]methanamine

C10H12FN — CID 115013049

IUPAC[3-(2-fluorocyclopropyl)phenyl]methanamine
SMILESNCc1cccc(C2CC2F)c1
InChIInChI=1S/C10H12FN/c11-10-5-9(10)8-3-1-2-7(4-8)6-12/h1-4,9-10H,5-6,12H2
InChIKeyFSHUPAWNZFMXLJ-UHFFFAOYSA-N
MW165.21 g/mol
LogP1.97
Rot. Bonds2

About [3-(2-fluorocyclopropyl)phenyl]methanamine

[3-(2-fluorocyclopropyl)phenyl]methanamine (PubChem CID 115013049) has the molecular formula C10H12FN and a molecular weight of 165.21 g/mol. Its IUPAC name is [3-(2-fluorocyclopropyl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(2-fluorocyclopropyl)phenyl]methanamine
PubChem CID115013049
Molecular FormulaC10H12FN
Molecular Weight165.21 g/mol
Exact Mass165.10
IUPAC Name[3-(2-fluorocyclopropyl)phenyl]methanamine
SMILESNCc1cccc(C2CC2F)c1
InChIInChI=1S/C10H12FN/c11-10-5-9(10)8-3-1-2-7(4-8)6-12/h1-4,9-10H,5-6,12H2
InChIKeyFSHUPAWNZFMXLJ-UHFFFAOYSA-N
XLogP1.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [3-(2-fluorocyclopropyl)phenyl]methanamine?
The IUPAC name of [3-(2-fluorocyclopropyl)phenyl]methanamine (CID 115013049) is [3-(2-fluorocyclopropyl)phenyl]methanamine.
What is the SMILES notation for [3-(2-fluorocyclopropyl)phenyl]methanamine?
The canonical SMILES for [3-(2-fluorocyclopropyl)phenyl]methanamine is NCc1cccc(C2CC2F)c1.
What is the InChIKey of [3-(2-fluorocyclopropyl)phenyl]methanamine?
The InChIKey is FSHUPAWNZFMXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN/c11-10-5-9(10)8-3-1-2-7(4-8)6-12/h1-4,9-10H,5-6,12H2.
What are the key properties of [3-(2-fluorocyclopropyl)phenyl]methanamine?
[3-(2-fluorocyclopropyl)phenyl]methanamine has a molecular weight of 165.21 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-fluorocyclopropyl)phenyl]methanamine is sourced from PubChem (CID 115013049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).