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

C14H17FN2OS — CID 82769305

IUPAC1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCNC(Cc1nc(C)cs1)c1cc(F)ccc1OC
InChIInChI=1S/C14H17FN2OS/c1-9-8-19-14(17-9)7-12(16-2)11-6-10(15)4-5-13(11)18-3/h4-6,8,12,16H,7H2,1-3H3
InChIKeyJQIMERSUJFDAPL-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.10
Rot. Bonds5

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

1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 82769305) 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-(4-methyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
PubChem CID82769305
Molecular FormulaC14H17FN2OS
Molecular Weight280.37 g/mol
Exact Mass280.10
IUPAC Name1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCNC(Cc1nc(C)cs1)c1cc(F)ccc1OC
InChIInChI=1S/C14H17FN2OS/c1-9-8-19-14(17-9)7-12(16-2)11-6-10(15)4-5-13(11)18-3/h4-6,8,12,16H,7H2,1-3H3
InChIKeyJQIMERSUJFDAPL-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

N-ethyl-1-(5-fluoro-2-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 82769448
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 82769777
1-(4-methoxy-2-methylphenyl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 65318322
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
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 62797395
2-(4-bromophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylethanamine
CID 43485689
[1-(2-methoxy-4-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 106793984
1-(5-fluoro-2-methoxyphenyl)-1-N-methylpentane-1,4-diamine
CID 116949834
[1-(2-bromo-4-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 105326577
1-(5-fluoro-2-methoxyphenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine
CID 116950446

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine (CID 82769305) is 1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for 1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for 1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine is CNC(Cc1nc(C)cs1)c1cc(F)ccc1OC.
What is the InChIKey of 1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is JQIMERSUJFDAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2OS/c1-9-8-19-14(17-9)7-12(16-2)11-6-10(15)4-5-13(11)18-3/h4-6,8,12,16H,7H2,1-3H3.
What are the key properties of 1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(4-methyl-1,3-thiazol-2-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-(4-methyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 82769305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).