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

C16H21FN2OS — CID 43285209

IUPACN-ethyl-1-[5-fluoro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine
SMILESCCNC(C)c1cc(F)ccc1OCCc1scnc1C
InChIInChI=1S/C16H21FN2OS/c1-4-18-11(2)14-9-13(17)5-6-15(14)20-8-7-16-12(3)19-10-21-16/h5-6,9-11,18H,4,7-8H2,1-3H3
InChIKeyVRVHYLSBNUTUSX-UHFFFAOYSA-N
MW308.42 g/mol
LogP3.88
Rot. Bonds7

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

N-ethyl-1-[5-fluoro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine (PubChem CID 43285209) has the molecular formula C16H21FN2OS and a molecular weight of 308.42 g/mol. Its IUPAC name is N-ethyl-1-[5-fluoro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[5-fluoro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine
PubChem CID43285209
Molecular FormulaC16H21FN2OS
Molecular Weight308.42 g/mol
Exact Mass308.14
IUPAC NameN-ethyl-1-[5-fluoro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine
SMILESCCNC(C)c1cc(F)ccc1OCCc1scnc1C
InChIInChI=1S/C16H21FN2OS/c1-4-18-11(2)14-9-13(17)5-6-15(14)20-8-7-16-12(3)19-10-21-16/h5-6,9-11,18H,4,7-8H2,1-3H3
InChIKeyVRVHYLSBNUTUSX-UHFFFAOYSA-N
XLogP3.88
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-[5-fluoro-2-(2-methoxyethoxy)phenyl]ethanamine
CID 43285224
N-ethyl-1-(5-fluoro-2-pentoxyphenyl)ethanamine
CID 43286048
[5-fluoro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methanol
CID 113223111
N-ethyl-1-[5-fluoro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]ethanamine
CID 103177883
N-ethyl-1-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfanyl]phenyl]ethanamine
CID 64666328
N-ethyl-1-[5-fluoro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine
CID 102880480
N-ethyl-1-[5-fluoro-2-(2-methylbutan-2-yloxy)phenyl]ethanamine
CID 43285833
N-ethyl-1-[5-fluoro-2-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 63934918
N-ethyl-1-[4-fluoro-2-(2-phenylethoxy)phenyl]ethanamine
CID 63066226
5-fluoro-N,N-dimethyl-2-[1-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethyl]aniline
CID 75427897
1-[2-(2,4-dimethylphenoxy)-5-fluorophenyl]-N-ethylethanamine
CID 43285318
N-ethyl-2-(4-fluorophenyl)-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 79441697

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[5-fluoro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine?
The IUPAC name of N-ethyl-1-[5-fluoro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine (CID 43285209) is N-ethyl-1-[5-fluoro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[5-fluoro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[5-fluoro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine is CCNC(C)c1cc(F)ccc1OCCc1scnc1C.
What is the InChIKey of N-ethyl-1-[5-fluoro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine?
The InChIKey is VRVHYLSBNUTUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2OS/c1-4-18-11(2)14-9-13(17)5-6-15(14)20-8-7-16-12(3)19-10-21-16/h5-6,9-11,18H,4,7-8H2,1-3H3.
What are the key properties of N-ethyl-1-[5-fluoro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine?
N-ethyl-1-[5-fluoro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine has a molecular weight of 308.42 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[5-fluoro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine is sourced from PubChem (CID 43285209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).