1-[5-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]propan-2-amine

C15H18FNOS — CID 107700843

IUPAC1-[5-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1cc(F)ccc1OCCc1cccs1
InChIInChI=1S/C15H18FNOS/c1-11(17)9-12-10-13(16)4-5-15(12)18-7-6-14-3-2-8-19-14/h2-5,8,10-11H,6-7,9,17H2,1H3
InChIKeyKLIBFOYBRINLNO-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.40
Rot. Bonds6

About 1-[5-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]propan-2-amine

1-[5-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]propan-2-amine (PubChem CID 107700843) has the molecular formula C15H18FNOS and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[5-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[5-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]propan-2-amine
PubChem CID107700843
Molecular FormulaC15H18FNOS
Molecular Weight279.38 g/mol
Exact Mass279.11
IUPAC Name1-[5-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1cc(F)ccc1OCCc1cccs1
InChIInChI=1S/C15H18FNOS/c1-11(17)9-12-10-13(16)4-5-15(12)18-7-6-14-3-2-8-19-14/h2-5,8,10-11H,6-7,9,17H2,1H3
InChIKeyKLIBFOYBRINLNO-UHFFFAOYSA-N
XLogP3.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[5-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]ethanamine
CID 63370121
N-[[5-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 107696673
1-[4-methoxy-3-(2-thiophen-2-ylethoxy)phenyl]propan-2-amine
CID 63774071
1-(5-fluoro-2-propoxyphenyl)propan-2-amine
CID 103694484
1-(2-ethoxy-5-fluorophenyl)propan-2-amine
CID 55254144
1-(5-fluoro-2-methoxyphenyl)-2-thiophen-2-ylethanamine
CID 82769620
1-[5-fluoro-2-[2-(2-methylpropoxy)ethoxy]phenyl]propan-2-amine
CID 107700851
1-[2-(2-thiophen-2-ylethoxy)phenyl]ethanamine
CID 54966969
1-(5-fluoro-2-pent-3-ynoxyphenyl)propan-2-amine
CID 107700673
5-fluoro-2-(2-thiophen-2-ylethoxy)benzonitrile
CID 55232319
1-[5-fluoro-2-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]propan-2-amine
CID 107700941
1-[2-(2,5-difluorophenoxy)-5-fluorophenyl]propan-2-amine
CID 63803167

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[5-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]propan-2-amine (CID 107700843) is 1-[5-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[5-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[5-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]propan-2-amine is CC(N)Cc1cc(F)ccc1OCCc1cccs1.
What is the InChIKey of 1-[5-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]propan-2-amine?
The InChIKey is KLIBFOYBRINLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNOS/c1-11(17)9-12-10-13(16)4-5-15(12)18-7-6-14-3-2-8-19-14/h2-5,8,10-11H,6-7,9,17H2,1H3.
What are the key properties of 1-[5-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]propan-2-amine?
1-[5-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]propan-2-amine has a molecular weight of 279.38 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]propan-2-amine is sourced from PubChem (CID 107700843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).