2-(5-chlorothiophen-2-yl)-1-(4-methoxyphenyl)ethanamine

C13H14ClNOS — CID 62608282

IUPAC2-(5-chlorothiophen-2-yl)-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(N)Cc2ccc(Cl)s2)cc1
InChIInChI=1S/C13H14ClNOS/c1-16-10-4-2-9(3-5-10)12(15)8-11-6-7-13(14)17-11/h2-7,12H,8,15H2,1H3
InChIKeyTUHLVTGGZCFXAV-UHFFFAOYSA-N
MW267.78 g/mol
LogP3.65
Rot. Bonds4

About 2-(5-chlorothiophen-2-yl)-1-(4-methoxyphenyl)ethanamine

2-(5-chlorothiophen-2-yl)-1-(4-methoxyphenyl)ethanamine (PubChem CID 62608282) has the molecular formula C13H14ClNOS and a molecular weight of 267.78 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-1-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-1-(4-methoxyphenyl)ethanamine
PubChem CID62608282
Molecular FormulaC13H14ClNOS
Molecular Weight267.78 g/mol
Exact Mass267.05
IUPAC Name2-(5-chlorothiophen-2-yl)-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(N)Cc2ccc(Cl)s2)cc1
InChIInChI=1S/C13H14ClNOS/c1-16-10-4-2-9(3-5-10)12(15)8-11-6-7-13(14)17-11/h2-7,12H,8,15H2,1H3
InChIKeyTUHLVTGGZCFXAV-UHFFFAOYSA-N
XLogP3.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.78
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethanamine
CID 62607560
2-(5-chlorothiophen-2-yl)-1-(4-ethylphenyl)ethanamine
CID 55095727
2-(5-chlorothiophen-2-yl)-1-naphthalen-2-ylethanamine
CID 62716425
(5-chlorothiophen-2-yl)-(4-methoxyphenyl)methanamine
CID 43114585
2-(5-chlorothiophen-2-yl)-1-(1H-pyrazol-4-yl)ethanamine
CID 130573212
2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylphenyl)ethanamine
CID 63414215
(5-chlorothiophen-2-yl)-(4-methoxyphenyl)methanol
CID 61089121
2-(5-chlorothiophen-2-yl)-1-(4-methoxyphenyl)ethanone
CID 55096306
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(4-methoxyphenyl)propan-1-amine
CID 106041834
2-(5-chlorothiophen-2-yl)-1-(2,3-dihydro-1H-inden-5-yl)ethanamine
CID 115841589
2-(5-chlorothiophen-2-yl)-1-(2,5-dimethylfuran-3-yl)ethanamine
CID 115841648
2-(furan-3-yl)-1-(4-methoxyphenyl)ethanamine
CID 83175778

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-1-(4-methoxyphenyl)ethanamine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-1-(4-methoxyphenyl)ethanamine (CID 62608282) is 2-(5-chlorothiophen-2-yl)-1-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-1-(4-methoxyphenyl)ethanamine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-1-(4-methoxyphenyl)ethanamine is COc1ccc(C(N)Cc2ccc(Cl)s2)cc1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-1-(4-methoxyphenyl)ethanamine?
The InChIKey is TUHLVTGGZCFXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNOS/c1-16-10-4-2-9(3-5-10)12(15)8-11-6-7-13(14)17-11/h2-7,12H,8,15H2,1H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-1-(4-methoxyphenyl)ethanamine?
2-(5-chlorothiophen-2-yl)-1-(4-methoxyphenyl)ethanamine has a molecular weight of 267.78 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-1-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 62608282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).