2-[3-fluoro-2-(thiophen-2-ylmethoxy)phenyl]ethanamine

C13H14FNOS — CID 112615303

IUPAC2-[3-fluoro-2-(thiophen-2-ylmethoxy)phenyl]ethanamine
SMILESNCCc1cccc(F)c1OCc1cccs1
InChIInChI=1S/C13H14FNOS/c14-12-5-1-3-10(6-7-15)13(12)16-9-11-4-2-8-17-11/h1-5,8H,6-7,9,15H2
InChIKeyBXDUMFQUEQNQCZ-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.97
Rot. Bonds5

About 2-[3-fluoro-2-(thiophen-2-ylmethoxy)phenyl]ethanamine

2-[3-fluoro-2-(thiophen-2-ylmethoxy)phenyl]ethanamine (PubChem CID 112615303) has the molecular formula C13H14FNOS and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[3-fluoro-2-(thiophen-2-ylmethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-fluoro-2-(thiophen-2-ylmethoxy)phenyl]ethanamine
PubChem CID112615303
Molecular FormulaC13H14FNOS
Molecular Weight251.33 g/mol
Exact Mass251.08
IUPAC Name2-[3-fluoro-2-(thiophen-2-ylmethoxy)phenyl]ethanamine
SMILESNCCc1cccc(F)c1OCc1cccs1
InChIInChI=1S/C13H14FNOS/c14-12-5-1-3-10(6-7-15)13(12)16-9-11-4-2-8-17-11/h1-5,8H,6-7,9,15H2
InChIKeyBXDUMFQUEQNQCZ-UHFFFAOYSA-N
XLogP2.97
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-bromo-2-(thiophen-2-ylmethoxy)phenyl]ethanamine
CID 61391970
1-[3-fluoro-2-(thiophen-2-ylmethoxy)phenyl]propan-2-amine
CID 112615919
3-fluoro-2-(thiophen-2-ylmethoxy)aniline
CID 104831460
2-[3-fluoro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine
CID 112615245
2-[2-[(2-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine
CID 115984055
2-[2-[2-(chloromethyl)-6-fluorophenoxy]ethyl]thiophene
CID 112613704
2-[3,5-dichloro-2-(thiophen-2-ylmethoxy)phenyl]ethanamine
CID 54930333
[3-bromo-2-(thiophen-2-ylmethoxy)phenyl]methanamine
CID 61389559
2-[3-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]ethanamine
CID 115957858
2-[2-(cyclopropylmethoxymethoxy)-3-fluorophenyl]ethanamine
CID 106930366
2-[3-fluoro-2-[(3-methylphenyl)methoxy]phenyl]ethanamine
CID 112615255
2-[3-fluoro-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethanamine
CID 112615166

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-2-(thiophen-2-ylmethoxy)phenyl]ethanamine?
The IUPAC name of 2-[3-fluoro-2-(thiophen-2-ylmethoxy)phenyl]ethanamine (CID 112615303) is 2-[3-fluoro-2-(thiophen-2-ylmethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[3-fluoro-2-(thiophen-2-ylmethoxy)phenyl]ethanamine?
The canonical SMILES for 2-[3-fluoro-2-(thiophen-2-ylmethoxy)phenyl]ethanamine is NCCc1cccc(F)c1OCc1cccs1.
What is the InChIKey of 2-[3-fluoro-2-(thiophen-2-ylmethoxy)phenyl]ethanamine?
The InChIKey is BXDUMFQUEQNQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNOS/c14-12-5-1-3-10(6-7-15)13(12)16-9-11-4-2-8-17-11/h1-5,8H,6-7,9,15H2.
What are the key properties of 2-[3-fluoro-2-(thiophen-2-ylmethoxy)phenyl]ethanamine?
2-[3-fluoro-2-(thiophen-2-ylmethoxy)phenyl]ethanamine has a molecular weight of 251.33 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-2-(thiophen-2-ylmethoxy)phenyl]ethanamine is sourced from PubChem (CID 112615303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).