2-[3-fluoro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine

C13H15FN2OS — CID 112615245

IUPAC2-[3-fluoro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine
SMILESCc1ncc(COc2c(F)cccc2CCN)s1
InChIInChI=1S/C13H15FN2OS/c1-9-16-7-11(18-9)8-17-13-10(5-6-15)3-2-4-12(13)14/h2-4,7H,5-6,8,15H2,1H3
InChIKeyAHQORRMKJWDUKF-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.67
Rot. Bonds5

About 2-[3-fluoro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine

2-[3-fluoro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine (PubChem CID 112615245) has the molecular formula C13H15FN2OS and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[3-fluoro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-fluoro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine
PubChem CID112615245
Molecular FormulaC13H15FN2OS
Molecular Weight266.34 g/mol
Exact Mass266.09
IUPAC Name2-[3-fluoro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine
SMILESCc1ncc(COc2c(F)cccc2CCN)s1
InChIInChI=1S/C13H15FN2OS/c1-9-16-7-11(18-9)8-17-13-10(5-6-15)3-2-4-12(13)14/h2-4,7H,5-6,8,15H2,1H3
InChIKeyAHQORRMKJWDUKF-UHFFFAOYSA-N
XLogP2.67
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-fluoro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]propan-2-amine
CID 112615879
2-[5-fluoro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine
CID 107700166
2-[3-fluoro-2-(thiophen-2-ylmethoxy)phenyl]ethanamine
CID 112615303
[3-chloro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methanamine
CID 112607840
2-[3-fluoro-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethanamine
CID 112615166
2-[3-fluoro-2-[(3-methylphenyl)methoxy]phenyl]ethanamine
CID 112615255
2-[3-fluoro-2-(pyridin-3-ylmethoxy)phenyl]ethanamine
CID 112615158
2-[2-[(2-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine
CID 115984055
1-[3,5-difluoro-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]propan-2-amine
CID 79888393
2-[2-[(2-fluorophenyl)methoxy]-3-methylphenyl]ethanamine
CID 112614778
[3-methoxy-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methanol
CID 63021172
N-[[3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 112609118

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine?
The IUPAC name of 2-[3-fluoro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine (CID 112615245) is 2-[3-fluoro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[3-fluoro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine?
The canonical SMILES for 2-[3-fluoro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine is Cc1ncc(COc2c(F)cccc2CCN)s1.
What is the InChIKey of 2-[3-fluoro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine?
The InChIKey is AHQORRMKJWDUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2OS/c1-9-16-7-11(18-9)8-17-13-10(5-6-15)3-2-4-12(13)14/h2-4,7H,5-6,8,15H2,1H3.
What are the key properties of 2-[3-fluoro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine?
2-[3-fluoro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine has a molecular weight of 266.34 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 112615245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).