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

C15H22FN — CID 84727157

IUPAC3-[3-[(1-fluorocyclobutyl)methyl]phenyl]-N-methylpropan-1-amine
SMILESCNCCCc1cccc(CC2(F)CCC2)c1
InChIInChI=1S/C15H22FN/c1-17-10-3-7-13-5-2-6-14(11-13)12-15(16)8-4-9-15/h2,5-6,11,17H,3-4,7-10,12H2,1H3
InChIKeyUYXMHGMYWKQIBW-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.27
Rot. Bonds6

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

3-[3-[(1-fluorocyclobutyl)methyl]phenyl]-N-methylpropan-1-amine (PubChem CID 84727157) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is 3-[3-[(1-fluorocyclobutyl)methyl]phenyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-[3-[(1-fluorocyclobutyl)methyl]phenyl]-N-methylpropan-1-amine
PubChem CID84727157
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC Name3-[3-[(1-fluorocyclobutyl)methyl]phenyl]-N-methylpropan-1-amine
SMILESCNCCCc1cccc(CC2(F)CCC2)c1
InChIInChI=1S/C15H22FN/c1-17-10-3-7-13-5-2-6-14(11-13)12-15(16)8-4-9-15/h2,5-6,11,17H,3-4,7-10,12H2,1H3
InChIKeyUYXMHGMYWKQIBW-UHFFFAOYSA-N
XLogP3.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.27
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)methyl]phenyl]-N-methylpropan-1-amine?
The IUPAC name of 3-[3-[(1-fluorocyclobutyl)methyl]phenyl]-N-methylpropan-1-amine (CID 84727157) is 3-[3-[(1-fluorocyclobutyl)methyl]phenyl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-[3-[(1-fluorocyclobutyl)methyl]phenyl]-N-methylpropan-1-amine?
The canonical SMILES for 3-[3-[(1-fluorocyclobutyl)methyl]phenyl]-N-methylpropan-1-amine is CNCCCc1cccc(CC2(F)CCC2)c1.
What is the InChIKey of 3-[3-[(1-fluorocyclobutyl)methyl]phenyl]-N-methylpropan-1-amine?
The InChIKey is UYXMHGMYWKQIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-17-10-3-7-13-5-2-6-14(11-13)12-15(16)8-4-9-15/h2,5-6,11,17H,3-4,7-10,12H2,1H3.
What are the key properties of 3-[3-[(1-fluorocyclobutyl)methyl]phenyl]-N-methylpropan-1-amine?
3-[3-[(1-fluorocyclobutyl)methyl]phenyl]-N-methylpropan-1-amine has a molecular weight of 235.35 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(1-fluorocyclobutyl)methyl]phenyl]-N-methylpropan-1-amine is sourced from PubChem (CID 84727157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).