1-(2-fluoro-6-methoxyphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine

C14H17FN2OS — CID 112700803

IUPAC1-(2-fluoro-6-methoxyphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine
SMILESCOc1cccc(F)c1C(C)NCCc1cscn1
InChIInChI=1S/C14H17FN2OS/c1-10(16-7-6-11-8-19-9-17-11)14-12(15)4-3-5-13(14)18-2/h3-5,8-10,16H,6-7H2,1-2H3
InChIKeyURBGLUJIKUSUBX-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.18
Rot. Bonds6

About 1-(2-fluoro-6-methoxyphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine

1-(2-fluoro-6-methoxyphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine (PubChem CID 112700803) has the molecular formula C14H17FN2OS and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(2-fluoro-6-methoxyphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2-fluoro-6-methoxyphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine
PubChem CID112700803
Molecular FormulaC14H17FN2OS
Molecular Weight280.37 g/mol
Exact Mass280.10
IUPAC Name1-(2-fluoro-6-methoxyphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine
SMILESCOc1cccc(F)c1C(C)NCCc1cscn1
InChIInChI=1S/C14H17FN2OS/c1-10(16-7-6-11-8-19-9-17-11)14-12(15)4-3-5-13(14)18-2/h3-5,8-10,16H,6-7H2,1-2H3
InChIKeyURBGLUJIKUSUBX-UHFFFAOYSA-N
XLogP3.18
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpropan-1-amine
CID 115704747
1-(2-methoxyphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]propan-2-amine
CID 63830235
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 113350949
1-(2,4-dimethoxyphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine
CID 63831507
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-4-methoxybutan-1-amine
CID 112700153
1-(2-fluoro-6-methoxyphenyl)-N-(2-methylsulfonylethyl)ethanamine
CID 112700351
4-[1-(2-fluoro-6-methoxyphenyl)ethylamino]butanenitrile
CID 75443103
N-[2-(1,3-thiazol-4-yl)ethyl]-1-thiophen-2-ylethanamine
CID 63831315
(1S)-1-(2-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 81396914
N-(2-cyclobutylethyl)-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 115893437
1-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 112700389
N-benzyl-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 115655768

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-6-methoxyphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine?
The IUPAC name of 1-(2-fluoro-6-methoxyphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine (CID 112700803) is 1-(2-fluoro-6-methoxyphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(2-fluoro-6-methoxyphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine?
The canonical SMILES for 1-(2-fluoro-6-methoxyphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine is COc1cccc(F)c1C(C)NCCc1cscn1.
What is the InChIKey of 1-(2-fluoro-6-methoxyphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine?
The InChIKey is URBGLUJIKUSUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2OS/c1-10(16-7-6-11-8-19-9-17-11)14-12(15)4-3-5-13(14)18-2/h3-5,8-10,16H,6-7H2,1-2H3.
What are the key properties of 1-(2-fluoro-6-methoxyphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine?
1-(2-fluoro-6-methoxyphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine has a molecular weight of 280.37 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-6-methoxyphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine is sourced from PubChem (CID 112700803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).