2-[3-chloro-5-methoxy-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine

C15H19ClN2O2S — CID 62071864

IUPAC2-[3-chloro-5-methoxy-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine
SMILESCOc1cc(CCN)cc(Cl)c1OCCc1scnc1C
InChIInChI=1S/C15H19ClN2O2S/c1-10-14(21-9-18-10)4-6-20-15-12(16)7-11(3-5-17)8-13(15)19-2/h7-9H,3-6,17H2,1-2H3
InChIKeyWWJTYFBKDSKJKE-UHFFFAOYSA-N
MW326.85 g/mol
LogP3.24
Rot. Bonds7

About 2-[3-chloro-5-methoxy-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine

2-[3-chloro-5-methoxy-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine (PubChem CID 62071864) has the molecular formula C15H19ClN2O2S and a molecular weight of 326.85 g/mol. Its IUPAC name is 2-[3-chloro-5-methoxy-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-chloro-5-methoxy-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine
PubChem CID62071864
Molecular FormulaC15H19ClN2O2S
Molecular Weight326.85 g/mol
Exact Mass326.09
IUPAC Name2-[3-chloro-5-methoxy-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine
SMILESCOc1cc(CCN)cc(Cl)c1OCCc1scnc1C
InChIInChI=1S/C15H19ClN2O2S/c1-10-14(21-9-18-10)4-6-20-15-12(16)7-11(3-5-17)8-13(15)19-2/h7-9H,3-6,17H2,1-2H3
InChIKeyWWJTYFBKDSKJKE-UHFFFAOYSA-N
XLogP3.24
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.85
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-chloro-3-methoxy-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methanamine
CID 104664167
2-[3-chloro-5-methoxy-4-(2-phenylethoxy)phenyl]ethanamine
CID 20986329
2-[3-chloro-5-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]ethanamine
CID 22683993
2-[4-[2-(4-tert-butylphenoxy)ethoxy]-3-chloro-5-methoxyphenyl]ethanamine
CID 20985649
2-[3-chloro-5-methoxy-4-[2-(4-propylphenoxy)ethoxy]phenyl]ethanamine
CID 22687055
2-[3-chloro-4-[2-(2,3-dimethylphenoxy)ethoxy]-5-methoxyphenyl]ethanamine
CID 22684363
methyl 2-[4-(2-aminoethyl)-2-chloro-6-methoxyphenoxy]acetate
CID 54931047
2-[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]ethanamine
CID 60906197
2-[3-chloro-5-methoxy-4-(2-methylpentoxy)phenyl]ethanamine
CID 55055676
3-(3-chloro-4,5-dimethoxyphenyl)propan-1-amine
CID 82161696
1-[3,5-dimethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]propan-2-amine
CID 62071710
O-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hydroxylamine
CID 11228942

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-methoxy-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine?
The IUPAC name of 2-[3-chloro-5-methoxy-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine (CID 62071864) is 2-[3-chloro-5-methoxy-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[3-chloro-5-methoxy-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine?
The canonical SMILES for 2-[3-chloro-5-methoxy-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine is COc1cc(CCN)cc(Cl)c1OCCc1scnc1C.
What is the InChIKey of 2-[3-chloro-5-methoxy-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine?
The InChIKey is WWJTYFBKDSKJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2S/c1-10-14(21-9-18-10)4-6-20-15-12(16)7-11(3-5-17)8-13(15)19-2/h7-9H,3-6,17H2,1-2H3.
What are the key properties of 2-[3-chloro-5-methoxy-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine?
2-[3-chloro-5-methoxy-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine has a molecular weight of 326.85 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-methoxy-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine is sourced from PubChem (CID 62071864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).