2-(4-methoxyphenyl)-1-thiophen-2-ylethanamine

C13H15NOS — CID 3062039

IUPAC2-(4-methoxyphenyl)-1-thiophen-2-ylethanamine
SMILESCOc1ccc(CC(N)c2cccs2)cc1
InChIInChI=1S/C13H15NOS/c1-15-11-6-4-10(5-7-11)9-12(14)13-3-2-8-16-13/h2-8,12H,9,14H2,1H3
InChIKeyMCOBRMBKOUUEDM-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.00
Rot. Bonds4

About 2-(4-methoxyphenyl)-1-thiophen-2-ylethanamine

2-(4-methoxyphenyl)-1-thiophen-2-ylethanamine (PubChem CID 3062039) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-thiophen-2-ylethanamine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-thiophen-2-ylethanamine
PubChem CID3062039
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name2-(4-methoxyphenyl)-1-thiophen-2-ylethanamine
SMILESCOc1ccc(CC(N)c2cccs2)cc1
InChIInChI=1S/C13H15NOS/c1-15-11-6-4-10(5-7-11)9-12(14)13-3-2-8-16-13/h2-8,12H,9,14H2,1H3
InChIKeyMCOBRMBKOUUEDM-UHFFFAOYSA-N
XLogP3.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-thiophen-2-ylethanamine?
The IUPAC name of 2-(4-methoxyphenyl)-1-thiophen-2-ylethanamine (CID 3062039) is 2-(4-methoxyphenyl)-1-thiophen-2-ylethanamine.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-thiophen-2-ylethanamine?
The canonical SMILES for 2-(4-methoxyphenyl)-1-thiophen-2-ylethanamine is COc1ccc(CC(N)c2cccs2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-thiophen-2-ylethanamine?
The InChIKey is MCOBRMBKOUUEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c1-15-11-6-4-10(5-7-11)9-12(14)13-3-2-8-16-13/h2-8,12H,9,14H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-1-thiophen-2-ylethanamine?
2-(4-methoxyphenyl)-1-thiophen-2-ylethanamine has a molecular weight of 233.34 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-thiophen-2-ylethanamine is sourced from PubChem (CID 3062039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).