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

C16H18FNO — CID 64765759

IUPAC[4-fluoro-2-(1-phenylethoxymethyl)phenyl]methanamine
SMILESCC(OCc1cc(F)ccc1CN)c1ccccc1
InChIInChI=1S/C16H18FNO/c1-12(13-5-3-2-4-6-13)19-11-15-9-16(17)8-7-14(15)10-18/h2-9,12H,10-11,18H2,1H3
InChIKeyWWQJPUQVFWPEEW-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.56
Rot. Bonds5

About [4-fluoro-2-(1-phenylethoxymethyl)phenyl]methanamine

[4-fluoro-2-(1-phenylethoxymethyl)phenyl]methanamine (PubChem CID 64765759) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is [4-fluoro-2-(1-phenylethoxymethyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-fluoro-2-(1-phenylethoxymethyl)phenyl]methanamine
PubChem CID64765759
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name[4-fluoro-2-(1-phenylethoxymethyl)phenyl]methanamine
SMILESCC(OCc1cc(F)ccc1CN)c1ccccc1
InChIInChI=1S/C16H18FNO/c1-12(13-5-3-2-4-6-13)19-11-15-9-16(17)8-7-14(15)10-18/h2-9,12H,10-11,18H2,1H3
InChIKeyWWQJPUQVFWPEEW-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

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Frequently Asked Questions

What is the IUPAC name of [4-fluoro-2-(1-phenylethoxymethyl)phenyl]methanamine?
The IUPAC name of [4-fluoro-2-(1-phenylethoxymethyl)phenyl]methanamine (CID 64765759) is [4-fluoro-2-(1-phenylethoxymethyl)phenyl]methanamine.
What is the SMILES notation for [4-fluoro-2-(1-phenylethoxymethyl)phenyl]methanamine?
The canonical SMILES for [4-fluoro-2-(1-phenylethoxymethyl)phenyl]methanamine is CC(OCc1cc(F)ccc1CN)c1ccccc1.
What is the InChIKey of [4-fluoro-2-(1-phenylethoxymethyl)phenyl]methanamine?
The InChIKey is WWQJPUQVFWPEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-12(13-5-3-2-4-6-13)19-11-15-9-16(17)8-7-14(15)10-18/h2-9,12H,10-11,18H2,1H3.
What are the key properties of [4-fluoro-2-(1-phenylethoxymethyl)phenyl]methanamine?
[4-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 [4-fluoro-2-(1-phenylethoxymethyl)phenyl]methanamine is sourced from PubChem (CID 64765759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).