[2-fluoro-6-(oxan-4-yloxy)phenyl]methanamine

C12H16FNO2 — CID 63937815

IUPAC[2-fluoro-6-(oxan-4-yloxy)phenyl]methanamine
SMILESNCc1c(F)cccc1OC1CCOCC1
InChIInChI=1S/C12H16FNO2/c13-11-2-1-3-12(10(11)8-14)16-9-4-6-15-7-5-9/h1-3,9H,4-8,14H2
InChIKeyDZHRLNIPIHHSQH-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.84
Rot. Bonds3

About [2-fluoro-6-(oxan-4-yloxy)phenyl]methanamine

[2-fluoro-6-(oxan-4-yloxy)phenyl]methanamine (PubChem CID 63937815) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is [2-fluoro-6-(oxan-4-yloxy)phenyl]methanamine.

Molecular Properties

Compound Name[2-fluoro-6-(oxan-4-yloxy)phenyl]methanamine
PubChem CID63937815
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name[2-fluoro-6-(oxan-4-yloxy)phenyl]methanamine
SMILESNCc1c(F)cccc1OC1CCOCC1
InChIInChI=1S/C12H16FNO2/c13-11-2-1-3-12(10(11)8-14)16-9-4-6-15-7-5-9/h1-3,9H,4-8,14H2
InChIKeyDZHRLNIPIHHSQH-UHFFFAOYSA-N
XLogP1.84
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-fluoro-6-(oxan-4-yloxy)phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-6-(oxan-4-yloxy)phenyl]methanamine?
The IUPAC name of [2-fluoro-6-(oxan-4-yloxy)phenyl]methanamine (CID 63937815) is [2-fluoro-6-(oxan-4-yloxy)phenyl]methanamine.
What is the SMILES notation for [2-fluoro-6-(oxan-4-yloxy)phenyl]methanamine?
The canonical SMILES for [2-fluoro-6-(oxan-4-yloxy)phenyl]methanamine is NCc1c(F)cccc1OC1CCOCC1.
What is the InChIKey of [2-fluoro-6-(oxan-4-yloxy)phenyl]methanamine?
The InChIKey is DZHRLNIPIHHSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c13-11-2-1-3-12(10(11)8-14)16-9-4-6-15-7-5-9/h1-3,9H,4-8,14H2.
What are the key properties of [2-fluoro-6-(oxan-4-yloxy)phenyl]methanamine?
[2-fluoro-6-(oxan-4-yloxy)phenyl]methanamine has a molecular weight of 225.26 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-6-(oxan-4-yloxy)phenyl]methanamine is sourced from PubChem (CID 63937815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).