[5-(3-fluorophenyl)oxan-2-yl]methanamine

C12H16FNO — CID 165449279

IUPAC[5-(3-fluorophenyl)oxan-2-yl]methanamine
SMILESNCC1CCC(c2cccc(F)c2)CO1
InChIInChI=1S/C12H16FNO/c13-11-3-1-2-9(6-11)10-4-5-12(7-14)15-8-10/h1-3,6,10,12H,4-5,7-8,14H2
InChIKeyPXOUEWKTBXNPJJ-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.05
Rot. Bonds2

About [5-(3-fluorophenyl)oxan-2-yl]methanamine

[5-(3-fluorophenyl)oxan-2-yl]methanamine (PubChem CID 165449279) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is [5-(3-fluorophenyl)oxan-2-yl]methanamine.

Molecular Properties

Compound Name[5-(3-fluorophenyl)oxan-2-yl]methanamine
PubChem CID165449279
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name[5-(3-fluorophenyl)oxan-2-yl]methanamine
SMILESNCC1CCC(c2cccc(F)c2)CO1
InChIInChI=1S/C12H16FNO/c13-11-3-1-2-9(6-11)10-4-5-12(7-14)15-8-10/h1-3,6,10,12H,4-5,7-8,14H2
InChIKeyPXOUEWKTBXNPJJ-UHFFFAOYSA-N
XLogP2.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-(3-fluorophenyl)oxan-2-yl]methanamine?
The IUPAC name of [5-(3-fluorophenyl)oxan-2-yl]methanamine (CID 165449279) is [5-(3-fluorophenyl)oxan-2-yl]methanamine.
What is the SMILES notation for [5-(3-fluorophenyl)oxan-2-yl]methanamine?
The canonical SMILES for [5-(3-fluorophenyl)oxan-2-yl]methanamine is NCC1CCC(c2cccc(F)c2)CO1.
What is the InChIKey of [5-(3-fluorophenyl)oxan-2-yl]methanamine?
The InChIKey is PXOUEWKTBXNPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c13-11-3-1-2-9(6-11)10-4-5-12(7-14)15-8-10/h1-3,6,10,12H,4-5,7-8,14H2.
What are the key properties of [5-(3-fluorophenyl)oxan-2-yl]methanamine?
[5-(3-fluorophenyl)oxan-2-yl]methanamine has a molecular weight of 209.26 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-fluorophenyl)oxan-2-yl]methanamine is sourced from PubChem (CID 165449279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).