2-[3-fluoro-4-(oxan-4-yloxy)phenyl]propan-2-amine

C14H20FNO2 — CID 117386204

IUPAC2-[3-fluoro-4-(oxan-4-yloxy)phenyl]propan-2-amine
SMILESCC(C)(N)c1ccc(OC2CCOCC2)c(F)c1
InChIInChI=1S/C14H20FNO2/c1-14(2,16)10-3-4-13(12(15)9-10)18-11-5-7-17-8-6-11/h3-4,9,11H,5-8,16H2,1-2H3
InChIKeyFGWJEWRBTRMHAC-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.58
Rot. Bonds3

About 2-[3-fluoro-4-(oxan-4-yloxy)phenyl]propan-2-amine

2-[3-fluoro-4-(oxan-4-yloxy)phenyl]propan-2-amine (PubChem CID 117386204) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-[3-fluoro-4-(oxan-4-yloxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name2-[3-fluoro-4-(oxan-4-yloxy)phenyl]propan-2-amine
PubChem CID117386204
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name2-[3-fluoro-4-(oxan-4-yloxy)phenyl]propan-2-amine
SMILESCC(C)(N)c1ccc(OC2CCOCC2)c(F)c1
InChIInChI=1S/C14H20FNO2/c1-14(2,16)10-3-4-13(12(15)9-10)18-11-5-7-17-8-6-11/h3-4,9,11H,5-8,16H2,1-2H3
InChIKeyFGWJEWRBTRMHAC-UHFFFAOYSA-N
XLogP2.58
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-(oxan-4-yloxy)phenyl]propan-2-amine?
The IUPAC name of 2-[3-fluoro-4-(oxan-4-yloxy)phenyl]propan-2-amine (CID 117386204) is 2-[3-fluoro-4-(oxan-4-yloxy)phenyl]propan-2-amine.
What is the SMILES notation for 2-[3-fluoro-4-(oxan-4-yloxy)phenyl]propan-2-amine?
The canonical SMILES for 2-[3-fluoro-4-(oxan-4-yloxy)phenyl]propan-2-amine is CC(C)(N)c1ccc(OC2CCOCC2)c(F)c1.
What is the InChIKey of 2-[3-fluoro-4-(oxan-4-yloxy)phenyl]propan-2-amine?
The InChIKey is FGWJEWRBTRMHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-14(2,16)10-3-4-13(12(15)9-10)18-11-5-7-17-8-6-11/h3-4,9,11H,5-8,16H2,1-2H3.
What are the key properties of 2-[3-fluoro-4-(oxan-4-yloxy)phenyl]propan-2-amine?
2-[3-fluoro-4-(oxan-4-yloxy)phenyl]propan-2-amine has a molecular weight of 253.32 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-(oxan-4-yloxy)phenyl]propan-2-amine is sourced from PubChem (CID 117386204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).