1-(5-fluoro-2-methoxyphenyl)-2-thiophen-2-ylethanamine

C13H14FNOS — CID 82769620

IUPAC1-(5-fluoro-2-methoxyphenyl)-2-thiophen-2-ylethanamine
SMILESCOc1ccc(F)cc1C(N)Cc1cccs1
InChIInChI=1S/C13H14FNOS/c1-16-13-5-4-9(14)7-11(13)12(15)8-10-3-2-6-17-10/h2-7,12H,8,15H2,1H3
InChIKeyHSVCBTPWAFIPOS-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.14
Rot. Bonds4

About 1-(5-fluoro-2-methoxyphenyl)-2-thiophen-2-ylethanamine

1-(5-fluoro-2-methoxyphenyl)-2-thiophen-2-ylethanamine (PubChem CID 82769620) has the molecular formula C13H14FNOS and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxyphenyl)-2-thiophen-2-ylethanamine.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxyphenyl)-2-thiophen-2-ylethanamine
PubChem CID82769620
Molecular FormulaC13H14FNOS
Molecular Weight251.33 g/mol
Exact Mass251.08
IUPAC Name1-(5-fluoro-2-methoxyphenyl)-2-thiophen-2-ylethanamine
SMILESCOc1ccc(F)cc1C(N)Cc1cccs1
InChIInChI=1S/C13H14FNOS/c1-16-13-5-4-9(14)7-11(13)12(15)8-10-3-2-6-17-10/h2-7,12H,8,15H2,1H3
InChIKeyHSVCBTPWAFIPOS-UHFFFAOYSA-N
XLogP3.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-fluoro-2-methoxyphenyl)-thiophen-2-ylmethanamine
CID 43464539
1-[5-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]propan-2-amine
CID 107700843
(1S)-3-fluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 171224945
(1R)-1-[5-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]ethanamine
CID 63370121
1-(3-fluoro-4-methoxyphenyl)-3-thiophen-2-ylpropan-2-amine
CID 62603614
1-(2-propoxyphenyl)-2-thiophen-2-ylethanamine
CID 104660039
1-(3-methoxy-4-methylphenyl)-2-thiophen-2-ylethanamine
CID 61080147
1-(5-fluoro-2-methoxyphenyl)-3,3-dimethylbutan-1-amine
CID 43122340
1-(2-methylsulfanylphenyl)-2-thiophen-2-ylethanamine
CID 79217934
(1R)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171205367
1-(2-bromo-5-methoxyphenyl)-2-thiophen-2-ylethanamine
CID 61077956
(1S)-1-(5-fluoro-2-methoxyphenyl)pentane-1,5-diamine
CID 171224932

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-2-thiophen-2-ylethanamine?
The IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-2-thiophen-2-ylethanamine (CID 82769620) is 1-(5-fluoro-2-methoxyphenyl)-2-thiophen-2-ylethanamine.
What is the SMILES notation for 1-(5-fluoro-2-methoxyphenyl)-2-thiophen-2-ylethanamine?
The canonical SMILES for 1-(5-fluoro-2-methoxyphenyl)-2-thiophen-2-ylethanamine is COc1ccc(F)cc1C(N)Cc1cccs1.
What is the InChIKey of 1-(5-fluoro-2-methoxyphenyl)-2-thiophen-2-ylethanamine?
The InChIKey is HSVCBTPWAFIPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNOS/c1-16-13-5-4-9(14)7-11(13)12(15)8-10-3-2-6-17-10/h2-7,12H,8,15H2,1H3.
What are the key properties of 1-(5-fluoro-2-methoxyphenyl)-2-thiophen-2-ylethanamine?
1-(5-fluoro-2-methoxyphenyl)-2-thiophen-2-ylethanamine has a molecular weight of 251.33 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxyphenyl)-2-thiophen-2-ylethanamine is sourced from PubChem (CID 82769620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).