N-[[1-(2-fluorophenyl)-3-propylcyclobutyl]methyl]ethanamine

C16H24FN — CID 65013584

IUPACN-[[1-(2-fluorophenyl)-3-propylcyclobutyl]methyl]ethanamine
SMILESCCCC1CC(CNCC)(c2ccccc2F)C1
InChIInChI=1S/C16H24FN/c1-3-7-13-10-16(11-13,12-18-4-2)14-8-5-6-9-15(14)17/h5-6,8-9,13,18H,3-4,7,10-12H2,1-2H3
InChIKeyLVHVVIAGZLCRBD-UHFFFAOYSA-N
MW249.37 g/mol
LogP3.88
Rot. Bonds6

About N-[[1-(2-fluorophenyl)-3-propylcyclobutyl]methyl]ethanamine

N-[[1-(2-fluorophenyl)-3-propylcyclobutyl]methyl]ethanamine (PubChem CID 65013584) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is N-[[1-(2-fluorophenyl)-3-propylcyclobutyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(2-fluorophenyl)-3-propylcyclobutyl]methyl]ethanamine
PubChem CID65013584
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC NameN-[[1-(2-fluorophenyl)-3-propylcyclobutyl]methyl]ethanamine
SMILESCCCC1CC(CNCC)(c2ccccc2F)C1
InChIInChI=1S/C16H24FN/c1-3-7-13-10-16(11-13,12-18-4-2)14-8-5-6-9-15(14)17/h5-6,8-9,13,18H,3-4,7,10-12H2,1-2H3
InChIKeyLVHVVIAGZLCRBD-UHFFFAOYSA-N
XLogP3.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.37
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-fluorophenyl)-3-propylcyclobutyl]methyl]ethanamine?
The IUPAC name of N-[[1-(2-fluorophenyl)-3-propylcyclobutyl]methyl]ethanamine (CID 65013584) is N-[[1-(2-fluorophenyl)-3-propylcyclobutyl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(2-fluorophenyl)-3-propylcyclobutyl]methyl]ethanamine?
The canonical SMILES for N-[[1-(2-fluorophenyl)-3-propylcyclobutyl]methyl]ethanamine is CCCC1CC(CNCC)(c2ccccc2F)C1.
What is the InChIKey of N-[[1-(2-fluorophenyl)-3-propylcyclobutyl]methyl]ethanamine?
The InChIKey is LVHVVIAGZLCRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN/c1-3-7-13-10-16(11-13,12-18-4-2)14-8-5-6-9-15(14)17/h5-6,8-9,13,18H,3-4,7,10-12H2,1-2H3.
What are the key properties of N-[[1-(2-fluorophenyl)-3-propylcyclobutyl]methyl]ethanamine?
N-[[1-(2-fluorophenyl)-3-propylcyclobutyl]methyl]ethanamine has a molecular weight of 249.37 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-fluorophenyl)-3-propylcyclobutyl]methyl]ethanamine is sourced from PubChem (CID 65013584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).