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

C14H18N2O2S — CID 54930722

IUPAC2-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
SMILESCOc1cc(CCN)ccc1OCc1csc(C)n1
InChIInChI=1S/C14H18N2O2S/c1-10-16-12(9-19-10)8-18-13-4-3-11(5-6-15)7-14(13)17-2/h3-4,7,9H,5-6,8,15H2,1-2H3
InChIKeyOTRMUYRXDUHYIL-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.54
Rot. Bonds6

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

2-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine (PubChem CID 54930722) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
PubChem CID54930722
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name2-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
SMILESCOc1cc(CCN)ccc1OCc1csc(C)n1
InChIInChI=1S/C14H18N2O2S/c1-10-16-12(9-19-10)8-18-13-4-3-11(5-6-15)7-14(13)17-2/h3-4,7,9H,5-6,8,15H2,1-2H3
InChIKeyOTRMUYRXDUHYIL-UHFFFAOYSA-N
XLogP2.54
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-ethoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 60880178
[3-fluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 107686349
3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde
CID 2446566
2-[5-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 54931526
4-[[4-[(2S,3R)-4-[3,4-bis[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-2,3-dimethylbutyl]-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenoxy]methyl]-2-methyl-1,3-thiazole
CID 59159875
1-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
CID 43503813
[3-chloro-5-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 60879593
N-[[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]-2-(4-methylphenyl)sulfanylethanamine
CID 9112544
4-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-2-methyl-1,3-thiazole
CID 107691593
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 111041298
2-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]ethanamine
CID 20987766
2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide
CID 46741035

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine?
The IUPAC name of 2-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine (CID 54930722) is 2-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine?
The canonical SMILES for 2-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine is COc1cc(CCN)ccc1OCc1csc(C)n1.
What is the InChIKey of 2-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine?
The InChIKey is OTRMUYRXDUHYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-10-16-12(9-19-10)8-18-13-4-3-11(5-6-15)7-14(13)17-2/h3-4,7,9H,5-6,8,15H2,1-2H3.
What are the key properties of 2-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine?
2-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine has a molecular weight of 278.38 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 54930722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).