2-(5-chloro-2-methoxyphenyl)-1-(4-methoxythiophen-2-yl)ethanamine

C14H16ClNO2S — CID 115845063

IUPAC2-(5-chloro-2-methoxyphenyl)-1-(4-methoxythiophen-2-yl)ethanamine
SMILESCOc1csc(C(N)Cc2cc(Cl)ccc2OC)c1
InChIInChI=1S/C14H16ClNO2S/c1-17-11-7-14(19-8-11)12(16)6-9-5-10(15)3-4-13(9)18-2/h3-5,7-8,12H,6,16H2,1-2H3
InChIKeyYCHGMKDTHJSYJS-UHFFFAOYSA-N
MW297.81 g/mol
LogP3.66
Rot. Bonds5

About 2-(5-chloro-2-methoxyphenyl)-1-(4-methoxythiophen-2-yl)ethanamine

2-(5-chloro-2-methoxyphenyl)-1-(4-methoxythiophen-2-yl)ethanamine (PubChem CID 115845063) has the molecular formula C14H16ClNO2S and a molecular weight of 297.81 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-1-(4-methoxythiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-1-(4-methoxythiophen-2-yl)ethanamine
PubChem CID115845063
Molecular FormulaC14H16ClNO2S
Molecular Weight297.81 g/mol
Exact Mass297.06
IUPAC Name2-(5-chloro-2-methoxyphenyl)-1-(4-methoxythiophen-2-yl)ethanamine
SMILESCOc1csc(C(N)Cc2cc(Cl)ccc2OC)c1
InChIInChI=1S/C14H16ClNO2S/c1-17-11-7-14(19-8-11)12(16)6-9-5-10(15)3-4-13(9)18-2/h3-5,7-8,12H,6,16H2,1-2H3
InChIKeyYCHGMKDTHJSYJS-UHFFFAOYSA-N
XLogP3.66
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.81
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluorophenyl)-1-(4-methoxythiophen-2-yl)ethanamine
CID 81122039
2-(5-chloro-2-methoxyphenyl)-1-(3,5-dichlorophenyl)ethanamine
CID 115845008
1-(5-chloro-2-methoxyphenyl)-3-methylbutan-2-amine
CID 62602017
2-(5-chloro-2-methoxyphenyl)-1-(thiadiazol-4-yl)ethanamine
CID 105137300
2-(5-chloro-2-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 115845037
1-(5-chloro-2-methoxyphenyl)-4,4-dimethylpentan-2-amine
CID 63891932
2-(5-chloro-2-methoxyphenyl)-1-pyrimidin-5-ylethanamine
CID 102923378
2-(2,6-dimethylphenyl)-1-(4-methoxythiophen-2-yl)ethanamine
CID 105024721
1-(4-methoxythiophen-2-yl)pentan-1-amine
CID 115832999
2-(5-chloro-2-methoxyphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanamine
CID 115844832
1-(5-chloro-2-methoxyphenyl)-2-methylpentan-3-amine
CID 63561705
1-(4-bromo-2-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanamine
CID 114905993

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-1-(4-methoxythiophen-2-yl)ethanamine?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-1-(4-methoxythiophen-2-yl)ethanamine (CID 115845063) is 2-(5-chloro-2-methoxyphenyl)-1-(4-methoxythiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-1-(4-methoxythiophen-2-yl)ethanamine?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-1-(4-methoxythiophen-2-yl)ethanamine is COc1csc(C(N)Cc2cc(Cl)ccc2OC)c1.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-1-(4-methoxythiophen-2-yl)ethanamine?
The InChIKey is YCHGMKDTHJSYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2S/c1-17-11-7-14(19-8-11)12(16)6-9-5-10(15)3-4-13(9)18-2/h3-5,7-8,12H,6,16H2,1-2H3.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-1-(4-methoxythiophen-2-yl)ethanamine?
2-(5-chloro-2-methoxyphenyl)-1-(4-methoxythiophen-2-yl)ethanamine has a molecular weight of 297.81 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-1-(4-methoxythiophen-2-yl)ethanamine is sourced from PubChem (CID 115845063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).