1-(4-thiophen-3-ylphenyl)ethanamine

C12H13NS — CID 65100555

IUPAC1-(4-thiophen-3-ylphenyl)ethanamine
SMILESCC(N)c1ccc(-c2ccsc2)cc1
InChIInChI=1S/C12H13NS/c1-9(13)10-2-4-11(5-3-10)12-6-7-14-8-12/h2-9H,13H2,1H3
InChIKeyOKFWLZYENOJTIR-UHFFFAOYSA-N
MW203.31 g/mol
LogP3.43
Rot. Bonds2

About 1-(4-thiophen-3-ylphenyl)ethanamine

1-(4-thiophen-3-ylphenyl)ethanamine (PubChem CID 65100555) has the molecular formula C12H13NS and a molecular weight of 203.31 g/mol. Its IUPAC name is 1-(4-thiophen-3-ylphenyl)ethanamine.

Molecular Properties

Compound Name1-(4-thiophen-3-ylphenyl)ethanamine
PubChem CID65100555
Molecular FormulaC12H13NS
Molecular Weight203.31 g/mol
Exact Mass203.08
IUPAC Name1-(4-thiophen-3-ylphenyl)ethanamine
SMILESCC(N)c1ccc(-c2ccsc2)cc1
InChIInChI=1S/C12H13NS/c1-9(13)10-2-4-11(5-3-10)12-6-7-14-8-12/h2-9H,13H2,1H3
InChIKeyOKFWLZYENOJTIR-UHFFFAOYSA-N
XLogP3.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-thiophen-3-ylphenyl)thiophene
CID 91665249
1-(4-thiophen-3-ylphenyl)ethane-1,2-diamine
CID 156902220
methyl (2R)-2-(4-thiophen-3-ylphenyl)propanoate
CID 76968567
1-[1-[4-(4-thiophen-3-ylphenyl)phenyl]ethyl]pyrrolidine
CID 11515502
(1S)-1-(4-phenylphenyl)ethanamine;hydrochloride
CID 54594942
1-(3-nitro-4-thiophen-3-ylphenyl)ethanamine
CID 126539505
3-[4-(4-phenylphenyl)phenyl]thiophene
CID 102231125
4-thiophen-3-ylphenol
CID 4130342
cyclopenta[c]thiopyran
CID 584139
2-(4-thiophen-3-ylphenyl)propyl 2,2,2-trifluoroacetate
CID 22996518
1-(4-thiophen-3-yl-1,3-thiazol-2-yl)ethanamine
CID 62091887
1-thiophen-3-yl-N-(1-thiophen-3-ylethyl)ethanamine
CID 14249916

Frequently Asked Questions

What is the IUPAC name of 1-(4-thiophen-3-ylphenyl)ethanamine?
The IUPAC name of 1-(4-thiophen-3-ylphenyl)ethanamine (CID 65100555) is 1-(4-thiophen-3-ylphenyl)ethanamine.
What is the SMILES notation for 1-(4-thiophen-3-ylphenyl)ethanamine?
The canonical SMILES for 1-(4-thiophen-3-ylphenyl)ethanamine is CC(N)c1ccc(-c2ccsc2)cc1.
What is the InChIKey of 1-(4-thiophen-3-ylphenyl)ethanamine?
The InChIKey is OKFWLZYENOJTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NS/c1-9(13)10-2-4-11(5-3-10)12-6-7-14-8-12/h2-9H,13H2,1H3.
What are the key properties of 1-(4-thiophen-3-ylphenyl)ethanamine?
1-(4-thiophen-3-ylphenyl)ethanamine has a molecular weight of 203.31 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-thiophen-3-ylphenyl)ethanamine is sourced from PubChem (CID 65100555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).