1-[3-fluoro-2-(thiophen-2-ylmethoxy)phenyl]propan-2-amine

C14H16FNOS — CID 112615919

IUPAC1-[3-fluoro-2-(thiophen-2-ylmethoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1cccc(F)c1OCc1cccs1
InChIInChI=1S/C14H16FNOS/c1-10(16)8-11-4-2-6-13(15)14(11)17-9-12-5-3-7-18-12/h2-7,10H,8-9,16H2,1H3
InChIKeyIFOHXOCHGJSXDJ-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.36
Rot. Bonds5

About 1-[3-fluoro-2-(thiophen-2-ylmethoxy)phenyl]propan-2-amine

1-[3-fluoro-2-(thiophen-2-ylmethoxy)phenyl]propan-2-amine (PubChem CID 112615919) has the molecular formula C14H16FNOS and a molecular weight of 265.35 g/mol. Its IUPAC name is 1-[3-fluoro-2-(thiophen-2-ylmethoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-fluoro-2-(thiophen-2-ylmethoxy)phenyl]propan-2-amine
PubChem CID112615919
Molecular FormulaC14H16FNOS
Molecular Weight265.35 g/mol
Exact Mass265.09
IUPAC Name1-[3-fluoro-2-(thiophen-2-ylmethoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1cccc(F)c1OCc1cccs1
InChIInChI=1S/C14H16FNOS/c1-10(16)8-11-4-2-6-13(15)14(11)17-9-12-5-3-7-18-12/h2-7,10H,8-9,16H2,1H3
InChIKeyIFOHXOCHGJSXDJ-UHFFFAOYSA-N
XLogP3.36
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-fluoro-2-(thiophen-2-ylmethoxy)phenyl]ethanamine
CID 112615303
1-[3-fluoro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]propan-2-amine
CID 112615879
1-[3-fluoro-2-[(4-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 115958647
3-fluoro-2-(thiophen-2-ylmethoxy)aniline
CID 104831460
1-[2-[(2,4-difluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine
CID 115958685
1-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine
CID 114857545
1-[3-fluoro-2-(3-methoxypropoxy)phenyl]propan-2-amine
CID 112615799
2-[2-(2-aminopropyl)-6-fluorophenoxy]acetonitrile
CID 112615861
1-[3-fluoro-2-[(3-methoxyphenyl)methoxy]phenyl]propan-2-amine
CID 115958705
1-[2-[(2-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine
CID 115958703
1-[2-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-3-fluorophenyl]propan-2-amine
CID 115958583
1-(3-fluoro-2-octoxyphenyl)propan-2-amine
CID 115958573

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-2-(thiophen-2-ylmethoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[3-fluoro-2-(thiophen-2-ylmethoxy)phenyl]propan-2-amine (CID 112615919) is 1-[3-fluoro-2-(thiophen-2-ylmethoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-fluoro-2-(thiophen-2-ylmethoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[3-fluoro-2-(thiophen-2-ylmethoxy)phenyl]propan-2-amine is CC(N)Cc1cccc(F)c1OCc1cccs1.
What is the InChIKey of 1-[3-fluoro-2-(thiophen-2-ylmethoxy)phenyl]propan-2-amine?
The InChIKey is IFOHXOCHGJSXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNOS/c1-10(16)8-11-4-2-6-13(15)14(11)17-9-12-5-3-7-18-12/h2-7,10H,8-9,16H2,1H3.
What are the key properties of 1-[3-fluoro-2-(thiophen-2-ylmethoxy)phenyl]propan-2-amine?
1-[3-fluoro-2-(thiophen-2-ylmethoxy)phenyl]propan-2-amine has a molecular weight of 265.35 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-2-(thiophen-2-ylmethoxy)phenyl]propan-2-amine is sourced from PubChem (CID 112615919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).