1-[5-fluoro-2-(2-phenylethoxy)phenyl]ethanamine

C16H18FNO — CID 43128588

IUPAC1-[5-fluoro-2-(2-phenylethoxy)phenyl]ethanamine
SMILESCC(N)c1cc(F)ccc1OCCc1ccccc1
InChIInChI=1S/C16H18FNO/c1-12(18)15-11-14(17)7-8-16(15)19-10-9-13-5-3-2-4-6-13/h2-8,11-12H,9-10,18H2,1H3
InChIKeySJVWPNLOHLAPRP-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.47
Rot. Bonds5

About 1-[5-fluoro-2-(2-phenylethoxy)phenyl]ethanamine

1-[5-fluoro-2-(2-phenylethoxy)phenyl]ethanamine (PubChem CID 43128588) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 1-[5-fluoro-2-(2-phenylethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[5-fluoro-2-(2-phenylethoxy)phenyl]ethanamine
PubChem CID43128588
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name1-[5-fluoro-2-(2-phenylethoxy)phenyl]ethanamine
SMILESCC(N)c1cc(F)ccc1OCCc1ccccc1
InChIInChI=1S/C16H18FNO/c1-12(18)15-11-14(17)7-8-16(15)19-10-9-13-5-3-2-4-6-13/h2-8,11-12H,9-10,18H2,1H3
InChIKeySJVWPNLOHLAPRP-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[5-fluoro-2-(2-phenylethoxy)phenyl]ethanamine with MolForge

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

Launch Full Analysis

Related Compounds

(1R)-1-[5-fluoro-2-(3-pyridin-4-ylpropoxy)phenyl]ethanamine
CID 29006434
(1R)-1-[5-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]ethanamine
CID 63370121
(1R)-1-(5-fluoro-2-pentoxyphenyl)ethanamine
CID 63370186
1-[5-chloro-2-(3-phenylpropoxy)phenyl]ethanamine
CID 62074214
(1R)-1-[5-bromo-2-(4-phenylbutoxy)phenyl]ethanamine
CID 104893814
(1R)-1-[2-[(3,5-difluorophenyl)methoxy]-5-fluorophenyl]ethanamine
CID 105402653
(1S)-1-[2-fluoro-4-(2-phenylethoxy)phenyl]ethanamine
CID 107718914
(1S)-1-[5-fluoro-2-(3-methoxy-3-methylbutoxy)phenyl]ethanamine
CID 103032866
(1S)-1-[2-(2-butoxyethoxy)-5-fluorophenyl]ethanamine
CID 29003282
N-ethyl-1-[4-fluoro-2-(2-phenylethoxy)phenyl]ethanamine
CID 63066226
(1S)-1-[2-(2-phenylethoxy)phenyl]ethanol
CID 78931363
4-bromo-1-(2-phenylethoxy)-2-propan-2-ylbenzene
CID 115401938

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-(2-phenylethoxy)phenyl]ethanamine?
The IUPAC name of 1-[5-fluoro-2-(2-phenylethoxy)phenyl]ethanamine (CID 43128588) is 1-[5-fluoro-2-(2-phenylethoxy)phenyl]ethanamine.
What is the SMILES notation for 1-[5-fluoro-2-(2-phenylethoxy)phenyl]ethanamine?
The canonical SMILES for 1-[5-fluoro-2-(2-phenylethoxy)phenyl]ethanamine is CC(N)c1cc(F)ccc1OCCc1ccccc1.
What is the InChIKey of 1-[5-fluoro-2-(2-phenylethoxy)phenyl]ethanamine?
The InChIKey is SJVWPNLOHLAPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-12(18)15-11-14(17)7-8-16(15)19-10-9-13-5-3-2-4-6-13/h2-8,11-12H,9-10,18H2,1H3.
What are the key properties of 1-[5-fluoro-2-(2-phenylethoxy)phenyl]ethanamine?
1-[5-fluoro-2-(2-phenylethoxy)phenyl]ethanamine has a molecular weight of 259.32 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-(2-phenylethoxy)phenyl]ethanamine is sourced from PubChem (CID 43128588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).