N-ethyl-1-[4-fluoro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine

C15H19FN2OS — CID 63065694

IUPACN-ethyl-1-[4-fluoro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine
SMILESCCNC(C)c1ccc(F)cc1OCc1cnc(C)s1
InChIInChI=1S/C15H19FN2OS/c1-4-17-10(2)14-6-5-12(16)7-15(14)19-9-13-8-18-11(3)20-13/h5-8,10,17H,4,9H2,1-3H3
InChIKeyWWKDUXFJBUPSPY-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.84
Rot. Bonds6

About N-ethyl-1-[4-fluoro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine

N-ethyl-1-[4-fluoro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine (PubChem CID 63065694) has the molecular formula C15H19FN2OS and a molecular weight of 294.39 g/mol. Its IUPAC name is N-ethyl-1-[4-fluoro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[4-fluoro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine
PubChem CID63065694
Molecular FormulaC15H19FN2OS
Molecular Weight294.39 g/mol
Exact Mass294.12
IUPAC NameN-ethyl-1-[4-fluoro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine
SMILESCCNC(C)c1ccc(F)cc1OCc1cnc(C)s1
InChIInChI=1S/C15H19FN2OS/c1-4-17-10(2)14-6-5-12(16)7-15(14)19-9-13-8-18-11(3)20-13/h5-8,10,17H,4,9H2,1-3H3
InChIKeyWWKDUXFJBUPSPY-UHFFFAOYSA-N
XLogP3.84
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[4-fluoro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine?
The IUPAC name of N-ethyl-1-[4-fluoro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine (CID 63065694) is N-ethyl-1-[4-fluoro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[4-fluoro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[4-fluoro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine is CCNC(C)c1ccc(F)cc1OCc1cnc(C)s1.
What is the InChIKey of N-ethyl-1-[4-fluoro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine?
The InChIKey is WWKDUXFJBUPSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2OS/c1-4-17-10(2)14-6-5-12(16)7-15(14)19-9-13-8-18-11(3)20-13/h5-8,10,17H,4,9H2,1-3H3.
What are the key properties of N-ethyl-1-[4-fluoro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine?
N-ethyl-1-[4-fluoro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine has a molecular weight of 294.39 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[4-fluoro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 63065694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).