1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine

C14H17FN2OS — CID 82769777

IUPAC1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCNC(Cc1csc(C)n1)c1cc(F)ccc1OC
InChIInChI=1S/C14H17FN2OS/c1-9-17-11(8-19-9)7-13(16-2)12-6-10(15)4-5-14(12)18-3/h4-6,8,13,16H,7H2,1-3H3
InChIKeyGCQAYZXKHLREQO-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.10
Rot. Bonds5

About 1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine

1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine (PubChem CID 82769777) has the molecular formula C14H17FN2OS and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
PubChem CID82769777
Molecular FormulaC14H17FN2OS
Molecular Weight280.37 g/mol
Exact Mass280.10
IUPAC Name1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCNC(Cc1csc(C)n1)c1cc(F)ccc1OC
InChIInChI=1S/C14H17FN2OS/c1-9-17-11(8-19-9)7-13(16-2)12-6-10(15)4-5-14(12)18-3/h4-6,8,13,16H,7H2,1-3H3
InChIKeyGCQAYZXKHLREQO-UHFFFAOYSA-N
XLogP3.10
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethoxyphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 62799340
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 82769305
1-(2-methoxy-4-methylphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 106791883
1-(3-methoxythiophen-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 104997024
1-(2-fluoro-5-methylphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 62800227
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 43485624
2-(3,4-dimethylphenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylethanamine
CID 62551268
1-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 43485635
1-(2,4-difluorophenyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 62799683
1-(5-fluoro-2-methylphenyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 105373853
N-[1-(2-chloro-5-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 105394886
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 105158996

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine (CID 82769777) is 1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for 1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for 1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine is CNC(Cc1csc(C)n1)c1cc(F)ccc1OC.
What is the InChIKey of 1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The InChIKey is GCQAYZXKHLREQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2OS/c1-9-17-11(8-19-9)7-13(16-2)12-6-10(15)4-5-14(12)18-3/h4-6,8,13,16H,7H2,1-3H3.
What are the key properties of 1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine has a molecular weight of 280.37 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 82769777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).