2-(2-chloro-4-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethanamine

C13H13ClFNOS — CID 115840443

IUPAC2-(2-chloro-4-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethanamine
SMILESCOc1ccsc1C(N)Cc1ccc(F)cc1Cl
InChIInChI=1S/C13H13ClFNOS/c1-17-12-4-5-18-13(12)11(16)6-8-2-3-9(15)7-10(8)14/h2-5,7,11H,6,16H2,1H3
InChIKeyFJPUZWHFDUUCGI-UHFFFAOYSA-N
MW285.77 g/mol
LogP3.79
Rot. Bonds4

About 2-(2-chloro-4-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethanamine

2-(2-chloro-4-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethanamine (PubChem CID 115840443) has the molecular formula C13H13ClFNOS and a molecular weight of 285.77 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethanamine
PubChem CID115840443
Molecular FormulaC13H13ClFNOS
Molecular Weight285.77 g/mol
Exact Mass285.04
IUPAC Name2-(2-chloro-4-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethanamine
SMILESCOc1ccsc1C(N)Cc1ccc(F)cc1Cl
InChIInChI=1S/C13H13ClFNOS/c1-17-12-4-5-18-13(12)11(16)6-8-2-3-9(15)7-10(8)14/h2-5,7,11H,6,16H2,1H3
InChIKeyFJPUZWHFDUUCGI-UHFFFAOYSA-N
XLogP3.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-5-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethanamine
CID 102622497
2-(2-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethanamine
CID 81121905
1-(3-chlorothiophen-2-yl)-2-(2-methoxyphenyl)ethanamine
CID 80530112
1-(2-chloro-4-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 63035603
1-(2-chloro-4-fluorophenyl)propan-2-amine
CID 62600100
2-(2-chloro-4-fluorophenyl)-1-thiophen-3-ylethanamine
CID 62602374
2-(2,4-dichlorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 62797331
N-[2-(2,4-difluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine
CID 81122712
2-(4-chloro-2-fluorophenyl)-1-(3-chlorothiophen-2-yl)ethanamine
CID 105055486
2-(5-bromothiophen-2-yl)-1-(3-methoxythiophen-2-yl)ethanamine
CID 115840988
2-(2-chloro-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 63035615
[2-(2-bromo-5-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]hydrazine
CID 105297119

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethanamine?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethanamine (CID 115840443) is 2-(2-chloro-4-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethanamine?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethanamine is COc1ccsc1C(N)Cc1ccc(F)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethanamine?
The InChIKey is FJPUZWHFDUUCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFNOS/c1-17-12-4-5-18-13(12)11(16)6-8-2-3-9(15)7-10(8)14/h2-5,7,11H,6,16H2,1H3.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethanamine?
2-(2-chloro-4-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethanamine has a molecular weight of 285.77 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethanamine is sourced from PubChem (CID 115840443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).