3-[3-(1-fluorocyclobutyl)phenyl]-N-methylpropan-1-amine

C14H20FN — CID 84724872

IUPAC3-[3-(1-fluorocyclobutyl)phenyl]-N-methylpropan-1-amine
SMILESCNCCCc1cccc(C2(F)CCC2)c1
InChIInChI=1S/C14H20FN/c1-16-10-3-6-12-5-2-7-13(11-12)14(15)8-4-9-14/h2,5,7,11,16H,3-4,6,8-10H2,1H3
InChIKeyZOVYGLZFLYLLFQ-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.19
Rot. Bonds5

About 3-[3-(1-fluorocyclobutyl)phenyl]-N-methylpropan-1-amine

3-[3-(1-fluorocyclobutyl)phenyl]-N-methylpropan-1-amine (PubChem CID 84724872) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is 3-[3-(1-fluorocyclobutyl)phenyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-[3-(1-fluorocyclobutyl)phenyl]-N-methylpropan-1-amine
PubChem CID84724872
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name3-[3-(1-fluorocyclobutyl)phenyl]-N-methylpropan-1-amine
SMILESCNCCCc1cccc(C2(F)CCC2)c1
InChIInChI=1S/C14H20FN/c1-16-10-3-6-12-5-2-7-13(11-12)14(15)8-4-9-14/h2,5,7,11,16H,3-4,6,8-10H2,1H3
InChIKeyZOVYGLZFLYLLFQ-UHFFFAOYSA-N
XLogP3.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-fluorocyclobutyl)phenyl]-N-methylpropan-1-amine?
The IUPAC name of 3-[3-(1-fluorocyclobutyl)phenyl]-N-methylpropan-1-amine (CID 84724872) is 3-[3-(1-fluorocyclobutyl)phenyl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-[3-(1-fluorocyclobutyl)phenyl]-N-methylpropan-1-amine?
The canonical SMILES for 3-[3-(1-fluorocyclobutyl)phenyl]-N-methylpropan-1-amine is CNCCCc1cccc(C2(F)CCC2)c1.
What is the InChIKey of 3-[3-(1-fluorocyclobutyl)phenyl]-N-methylpropan-1-amine?
The InChIKey is ZOVYGLZFLYLLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-16-10-3-6-12-5-2-7-13(11-12)14(15)8-4-9-14/h2,5,7,11,16H,3-4,6,8-10H2,1H3.
What are the key properties of 3-[3-(1-fluorocyclobutyl)phenyl]-N-methylpropan-1-amine?
3-[3-(1-fluorocyclobutyl)phenyl]-N-methylpropan-1-amine has a molecular weight of 221.32 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-fluorocyclobutyl)phenyl]-N-methylpropan-1-amine is sourced from PubChem (CID 84724872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).