[5-fluoro-2-(1-phenylethoxymethyl)phenyl]methanamine

C16H18FNO — CID 55171550

IUPAC[5-fluoro-2-(1-phenylethoxymethyl)phenyl]methanamine
SMILESCC(OCc1ccc(F)cc1CN)c1ccccc1
InChIInChI=1S/C16H18FNO/c1-12(13-5-3-2-4-6-13)19-11-14-7-8-16(17)9-15(14)10-18/h2-9,12H,10-11,18H2,1H3
InChIKeyJIFAIRNNGPMGFG-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.56
Rot. Bonds5

About [5-fluoro-2-(1-phenylethoxymethyl)phenyl]methanamine

[5-fluoro-2-(1-phenylethoxymethyl)phenyl]methanamine (PubChem CID 55171550) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is [5-fluoro-2-(1-phenylethoxymethyl)phenyl]methanamine.

Molecular Properties

Compound Name[5-fluoro-2-(1-phenylethoxymethyl)phenyl]methanamine
PubChem CID55171550
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name[5-fluoro-2-(1-phenylethoxymethyl)phenyl]methanamine
SMILESCC(OCc1ccc(F)cc1CN)c1ccccc1
InChIInChI=1S/C16H18FNO/c1-12(13-5-3-2-4-6-13)19-11-14-7-8-16(17)9-15(14)10-18/h2-9,12H,10-11,18H2,1H3
InChIKeyJIFAIRNNGPMGFG-UHFFFAOYSA-N
XLogP3.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [5-fluoro-2-(1-phenylethoxymethyl)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 [5-fluoro-2-(1-phenylethoxymethyl)phenyl]methanamine?
The IUPAC name of [5-fluoro-2-(1-phenylethoxymethyl)phenyl]methanamine (CID 55171550) is [5-fluoro-2-(1-phenylethoxymethyl)phenyl]methanamine.
What is the SMILES notation for [5-fluoro-2-(1-phenylethoxymethyl)phenyl]methanamine?
The canonical SMILES for [5-fluoro-2-(1-phenylethoxymethyl)phenyl]methanamine is CC(OCc1ccc(F)cc1CN)c1ccccc1.
What is the InChIKey of [5-fluoro-2-(1-phenylethoxymethyl)phenyl]methanamine?
The InChIKey is JIFAIRNNGPMGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-12(13-5-3-2-4-6-13)19-11-14-7-8-16(17)9-15(14)10-18/h2-9,12H,10-11,18H2,1H3.
What are the key properties of [5-fluoro-2-(1-phenylethoxymethyl)phenyl]methanamine?
[5-fluoro-2-(1-phenylethoxymethyl)phenyl]methanamine has a molecular weight of 259.32 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-(1-phenylethoxymethyl)phenyl]methanamine is sourced from PubChem (CID 55171550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).