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

C13H16ClNOS — CID 3062038

IUPAC2-(4-methoxyphenyl)-1-thiophen-2-ylethanamine;hydrochloride
SMILESCOc1ccc(CC(N)c2cccs2)cc1.Cl
InChIInChI=1S/C13H15NOS.ClH/c1-15-11-6-4-10(5-7-11)9-12(14)13-3-2-8-16-13;/h2-8,12H,9,14H2,1H3;1H
InChIKeyXRJITTJQEHGBQF-UHFFFAOYSA-N
MW269.80 g/mol
LogP3.42
Rot. Bonds4

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

2-(4-methoxyphenyl)-1-thiophen-2-ylethanamine;hydrochloride (PubChem CID 3062038) has the molecular formula C13H16ClNOS and a molecular weight of 269.80 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-thiophen-2-ylethanamine;hydrochloride.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-thiophen-2-ylethanamine;hydrochloride
PubChem CID3062038
Molecular FormulaC13H16ClNOS
Molecular Weight269.80 g/mol
Exact Mass269.06
IUPAC Name2-(4-methoxyphenyl)-1-thiophen-2-ylethanamine;hydrochloride
SMILESCOc1ccc(CC(N)c2cccs2)cc1.Cl
InChIInChI=1S/C13H15NOS.ClH/c1-15-11-6-4-10(5-7-11)9-12(14)13-3-2-8-16-13;/h2-8,12H,9,14H2,1H3;1H
InChIKeyXRJITTJQEHGBQF-UHFFFAOYSA-N
XLogP3.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.80
LogP ≤ 53.42
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;hydrochloride?
The IUPAC name of 2-(4-methoxyphenyl)-1-thiophen-2-ylethanamine;hydrochloride (CID 3062038) is 2-(4-methoxyphenyl)-1-thiophen-2-ylethanamine;hydrochloride.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-thiophen-2-ylethanamine;hydrochloride?
The canonical SMILES for 2-(4-methoxyphenyl)-1-thiophen-2-ylethanamine;hydrochloride is COc1ccc(CC(N)c2cccs2)cc1.Cl.
What is the InChIKey of 2-(4-methoxyphenyl)-1-thiophen-2-ylethanamine;hydrochloride?
The InChIKey is XRJITTJQEHGBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS.ClH/c1-15-11-6-4-10(5-7-11)9-12(14)13-3-2-8-16-13;/h2-8,12H,9,14H2,1H3;1H.
What are the key properties of 2-(4-methoxyphenyl)-1-thiophen-2-ylethanamine;hydrochloride?
2-(4-methoxyphenyl)-1-thiophen-2-ylethanamine;hydrochloride has a molecular weight of 269.80 g/mol, XLogP of 3.42, 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;hydrochloride is sourced from PubChem (CID 3062038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).