2-[5-fluoro-2-(thiophen-3-ylmethoxy)phenyl]ethanamine

C13H14FNOS — CID 107700478

IUPAC2-[5-fluoro-2-(thiophen-3-ylmethoxy)phenyl]ethanamine
SMILESNCCc1cc(F)ccc1OCc1ccsc1
InChIInChI=1S/C13H14FNOS/c14-12-1-2-13(11(7-12)3-5-15)16-8-10-4-6-17-9-10/h1-2,4,6-7,9H,3,5,8,15H2
InChIKeyNLHCVFZYJRHQHT-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.97
Rot. Bonds5

About 2-[5-fluoro-2-(thiophen-3-ylmethoxy)phenyl]ethanamine

2-[5-fluoro-2-(thiophen-3-ylmethoxy)phenyl]ethanamine (PubChem CID 107700478) has the molecular formula C13H14FNOS and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[5-fluoro-2-(thiophen-3-ylmethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[5-fluoro-2-(thiophen-3-ylmethoxy)phenyl]ethanamine
PubChem CID107700478
Molecular FormulaC13H14FNOS
Molecular Weight251.33 g/mol
Exact Mass251.08
IUPAC Name2-[5-fluoro-2-(thiophen-3-ylmethoxy)phenyl]ethanamine
SMILESNCCc1cc(F)ccc1OCc1ccsc1
InChIInChI=1S/C13H14FNOS/c14-12-1-2-13(11(7-12)3-5-15)16-8-10-4-6-17-9-10/h1-2,4,6-7,9H,3,5,8,15H2
InChIKeyNLHCVFZYJRHQHT-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-[2-[(2,5-difluorophenyl)methoxy]-5-fluorophenyl]ethanamine
CID 107700281
2-[5-fluoro-2-(pyrimidin-2-ylmethoxy)phenyl]ethanamine
CID 107700331
N-[[5-fluoro-2-(thiophen-3-ylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 107697144
2-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]ethanamine
CID 63326109
1-[4-fluoro-2-(thiophen-3-ylmethoxy)phenyl]ethanamine
CID 63066366
2-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]ethanamine
CID 107700129
2-[5-fluoro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine
CID 107700166
2-[5-fluoro-2-(3-phenylpropoxy)phenyl]ethanamine
CID 107699954
2-[5-fluoro-2-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 107700182
2-[2-[(3-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethanamine
CID 107699919
3-methoxy-4-(thiophen-3-ylmethoxy)aniline
CID 62110785
2-[5-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine
CID 102619479

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-(thiophen-3-ylmethoxy)phenyl]ethanamine?
The IUPAC name of 2-[5-fluoro-2-(thiophen-3-ylmethoxy)phenyl]ethanamine (CID 107700478) is 2-[5-fluoro-2-(thiophen-3-ylmethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[5-fluoro-2-(thiophen-3-ylmethoxy)phenyl]ethanamine?
The canonical SMILES for 2-[5-fluoro-2-(thiophen-3-ylmethoxy)phenyl]ethanamine is NCCc1cc(F)ccc1OCc1ccsc1.
What is the InChIKey of 2-[5-fluoro-2-(thiophen-3-ylmethoxy)phenyl]ethanamine?
The InChIKey is NLHCVFZYJRHQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNOS/c14-12-1-2-13(11(7-12)3-5-15)16-8-10-4-6-17-9-10/h1-2,4,6-7,9H,3,5,8,15H2.
What are the key properties of 2-[5-fluoro-2-(thiophen-3-ylmethoxy)phenyl]ethanamine?
2-[5-fluoro-2-(thiophen-3-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-[5-fluoro-2-(thiophen-3-ylmethoxy)phenyl]ethanamine is sourced from PubChem (CID 107700478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).