2-(3-phenoxythiophen-2-yl)ethanamine

C12H13NOS — CID 170887790

IUPAC2-(3-phenoxythiophen-2-yl)ethanamine
SMILESNCCc1sccc1Oc1ccccc1
InChIInChI=1S/C12H13NOS/c13-8-6-12-11(7-9-15-12)14-10-4-2-1-3-5-10/h1-5,7,9H,6,8,13H2
InChIKeyXDZTYKNCEOUAFQ-UHFFFAOYSA-N
MW219.31 g/mol
LogP3.04
Rot. Bonds4

About 2-(3-phenoxythiophen-2-yl)ethanamine

2-(3-phenoxythiophen-2-yl)ethanamine (PubChem CID 170887790) has the molecular formula C12H13NOS and a molecular weight of 219.31 g/mol. Its IUPAC name is 2-(3-phenoxythiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3-phenoxythiophen-2-yl)ethanamine
PubChem CID170887790
Molecular FormulaC12H13NOS
Molecular Weight219.31 g/mol
Exact Mass219.07
IUPAC Name2-(3-phenoxythiophen-2-yl)ethanamine
SMILESNCCc1sccc1Oc1ccccc1
InChIInChI=1S/C12H13NOS/c13-8-6-12-11(7-9-15-12)14-10-4-2-1-3-5-10/h1-5,7,9H,6,8,13H2
InChIKeyXDZTYKNCEOUAFQ-UHFFFAOYSA-N
XLogP3.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-3-(3-phenoxythiophen-2-yl)propan-1-amine
CID 170867177
2-(4-fluoro-3-phenoxyphenyl)ethanamine
CID 170887829
3-(3-methoxythiophen-2-yl)propan-1-amine
CID 170868166
3-(2-phenoxyphenyl)propan-1-amine;phosphane
CID 175469418
2-(2-phenoxyphenoxy)ethanamine
CID 18769450
3-phenoxythiophene-2-sulfonyl chloride
CID 22998435
N'-[(3-methoxythiophen-2-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120912913
N'-[(3-methoxythiophen-2-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120912912
2-[4-(2-chlorophenoxy)phenyl]ethanamine
CID 20993672
2-[4-(2-methoxyphenoxy)phenyl]ethanamine
CID 20986924
(2-chloro-6-phenoxyphenyl)methanamine
CID 2777206
2,5-diphenoxybenzene-1,4-diamine
CID 139696987

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenoxythiophen-2-yl)ethanamine?
The IUPAC name of 2-(3-phenoxythiophen-2-yl)ethanamine (CID 170887790) is 2-(3-phenoxythiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(3-phenoxythiophen-2-yl)ethanamine?
The canonical SMILES for 2-(3-phenoxythiophen-2-yl)ethanamine is NCCc1sccc1Oc1ccccc1.
What is the InChIKey of 2-(3-phenoxythiophen-2-yl)ethanamine?
The InChIKey is XDZTYKNCEOUAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NOS/c13-8-6-12-11(7-9-15-12)14-10-4-2-1-3-5-10/h1-5,7,9H,6,8,13H2.
What are the key properties of 2-(3-phenoxythiophen-2-yl)ethanamine?
2-(3-phenoxythiophen-2-yl)ethanamine has a molecular weight of 219.31 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenoxythiophen-2-yl)ethanamine is sourced from PubChem (CID 170887790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).