2-(2-chloro-5-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethanamine

C13H13ClFNOS — CID 102622497

IUPAC2-(2-chloro-5-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethanamine
SMILESCOc1ccsc1C(N)Cc1cc(F)ccc1Cl
InChIInChI=1S/C13H13ClFNOS/c1-17-12-4-5-18-13(12)11(16)7-8-6-9(15)2-3-10(8)14/h2-6,11H,7,16H2,1H3
InChIKeyTXJKVNXBPRVNCV-UHFFFAOYSA-N
MW285.77 g/mol
LogP3.79
Rot. Bonds4

About 2-(2-chloro-5-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethanamine

2-(2-chloro-5-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethanamine (PubChem CID 102622497) has the molecular formula C13H13ClFNOS and a molecular weight of 285.77 g/mol. Its IUPAC name is 2-(2-chloro-5-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-5-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethanamine
PubChem CID102622497
Molecular FormulaC13H13ClFNOS
Molecular Weight285.77 g/mol
Exact Mass285.04
IUPAC Name2-(2-chloro-5-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethanamine
SMILESCOc1ccsc1C(N)Cc1cc(F)ccc1Cl
InChIInChI=1S/C13H13ClFNOS/c1-17-12-4-5-18-13(12)11(16)7-8-6-9(15)2-3-10(8)14/h2-6,11H,7,16H2,1H3
InChIKeyTXJKVNXBPRVNCV-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-4-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethanamine
CID 115840443
2-(2-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethanamine
CID 81121905
1-(3-chlorothiophen-2-yl)-2-(2-methoxyphenyl)ethanamine
CID 80530112
2-(2-chloro-5-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 102622687
2-(5-bromothiophen-2-yl)-1-(3-methoxythiophen-2-yl)ethanamine
CID 115840988
[2-(2-bromo-5-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]hydrazine
CID 105297119
2-(2-chloro-5-fluorophenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 102622560
2-(2-chloro-5-fluorophenyl)-1-(2-chlorophenyl)ethanamine
CID 102618794
2-(2-chloro-5-fluorophenyl)-1-(4-chlorophenyl)ethanamine
CID 102618374
1-(3-chlorothiophen-2-yl)-2-(3,4-dimethoxyphenyl)ethanamine
CID 80529864
[1-(2-chloro-5-fluorophenyl)-3-(2-methoxyphenyl)propan-2-yl]hydrazine
CID 102623265
2-(2-bromo-5-fluorophenyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 115843760

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethanamine?
The IUPAC name of 2-(2-chloro-5-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethanamine (CID 102622497) is 2-(2-chloro-5-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(2-chloro-5-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethanamine?
The canonical SMILES for 2-(2-chloro-5-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethanamine is COc1ccsc1C(N)Cc1cc(F)ccc1Cl.
What is the InChIKey of 2-(2-chloro-5-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethanamine?
The InChIKey is TXJKVNXBPRVNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFNOS/c1-17-12-4-5-18-13(12)11(16)7-8-6-9(15)2-3-10(8)14/h2-6,11H,7,16H2,1H3.
What are the key properties of 2-(2-chloro-5-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethanamine?
2-(2-chloro-5-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-5-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethanamine is sourced from PubChem (CID 102622497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).