[(1E)-cycloocten-1-yl]-(2-fluorophenyl)methanamine

C15H20FN — CID 106652892

IUPAC[(1E)-cycloocten-1-yl]-(2-fluorophenyl)methanamine
SMILESNC(/C1=C/CCCCCC1)c1ccccc1F
InChIInChI=1S/C15H20FN/c16-14-11-7-6-10-13(14)15(17)12-8-4-2-1-3-5-9-12/h6-8,10-11,15H,1-5,9,17H2/b12-8+
InChIKeyUGVFZWUPXYQMHA-XYOKQWHBSA-N
MW233.33 g/mol
LogP4.11
Rot. Bonds2

About [(1E)-cycloocten-1-yl]-(2-fluorophenyl)methanamine

[(1E)-cycloocten-1-yl]-(2-fluorophenyl)methanamine (PubChem CID 106652892) has the molecular formula C15H20FN and a molecular weight of 233.33 g/mol. Its IUPAC name is [(1E)-cycloocten-1-yl]-(2-fluorophenyl)methanamine.

Molecular Properties

Compound Name[(1E)-cycloocten-1-yl]-(2-fluorophenyl)methanamine
PubChem CID106652892
Molecular FormulaC15H20FN
Molecular Weight233.33 g/mol
Exact Mass233.16
IUPAC Name[(1E)-cycloocten-1-yl]-(2-fluorophenyl)methanamine
SMILESNC(/C1=C/CCCCCC1)c1ccccc1F
InChIInChI=1S/C15H20FN/c16-14-11-7-6-10-13(14)15(17)12-8-4-2-1-3-5-9-12/h6-8,10-11,15H,1-5,9,17H2/b12-8+
InChIKeyUGVFZWUPXYQMHA-XYOKQWHBSA-N
XLogP4.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cyclopenten-1-yl-(2,3-difluorophenyl)methanamine
CID 62650882
cyclohepten-1-yl-(2,5-difluorophenyl)methanamine
CID 106652966
(4-chloro-2-fluorophenyl)-(cyclohepten-1-yl)methanamine
CID 55034229
(5-bromo-2-fluorophenyl)-[(1E)-cycloocten-1-yl]methanamine
CID 106654768
(2-bromo-3-methylphenyl)-(cyclohepten-1-yl)methanamine
CID 107982012
(2-bromofuran-3-yl)-[(1E)-cycloocten-1-yl]methanamine
CID 106859008
cyclohexen-1-yl-(5-fluoro-2-methylphenyl)methanamine
CID 63047741
cyclohexen-1-yl-(2-fluoro-6-methoxyphenyl)methanamine
CID 65433627
cyclohepten-1-yl-(3,5-difluorophenyl)methanamine
CID 62080192
(5-chloro-2-methoxyphenyl)-[(1E)-cycloocten-1-yl]methanamine
CID 106656196
[(1E)-cycloocten-1-yl]-(2,6-difluorophenyl)methanol
CID 106651011
(4-bromo-2-methylphenyl)-[(1E)-cycloocten-1-yl]methanamine
CID 106654796

Frequently Asked Questions

What is the IUPAC name of [(1E)-cycloocten-1-yl]-(2-fluorophenyl)methanamine?
The IUPAC name of [(1E)-cycloocten-1-yl]-(2-fluorophenyl)methanamine (CID 106652892) is [(1E)-cycloocten-1-yl]-(2-fluorophenyl)methanamine.
What is the SMILES notation for [(1E)-cycloocten-1-yl]-(2-fluorophenyl)methanamine?
The canonical SMILES for [(1E)-cycloocten-1-yl]-(2-fluorophenyl)methanamine is NC(/C1=C/CCCCCC1)c1ccccc1F.
What is the InChIKey of [(1E)-cycloocten-1-yl]-(2-fluorophenyl)methanamine?
The InChIKey is UGVFZWUPXYQMHA-XYOKQWHBSA-N. The full InChI is InChI=1S/C15H20FN/c16-14-11-7-6-10-13(14)15(17)12-8-4-2-1-3-5-9-12/h6-8,10-11,15H,1-5,9,17H2/b12-8+.
What are the key properties of [(1E)-cycloocten-1-yl]-(2-fluorophenyl)methanamine?
[(1E)-cycloocten-1-yl]-(2-fluorophenyl)methanamine has a molecular weight of 233.33 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E)-cycloocten-1-yl]-(2-fluorophenyl)methanamine is sourced from PubChem (CID 106652892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).