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

C15H20ClNOS — CID 3062040

IUPACN-ethyl-2-(4-methoxyphenyl)-1-thiophen-2-ylethanamine;hydrochloride
SMILESCCNC(Cc1ccc(OC)cc1)c1cccs1.Cl
InChIInChI=1S/C15H19NOS.ClH/c1-3-16-14(15-5-4-10-18-15)11-12-6-8-13(17-2)9-7-12;/h4-10,14,16H,3,11H2,1-2H3;1H
InChIKeyMCRZLHHVFLAFJK-UHFFFAOYSA-N
MW297.85 g/mol
LogP4.07
Rot. Bonds6

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

N-ethyl-2-(4-methoxyphenyl)-1-thiophen-2-ylethanamine;hydrochloride (PubChem CID 3062040) has the molecular formula C15H20ClNOS and a molecular weight of 297.85 g/mol. Its IUPAC name is N-ethyl-2-(4-methoxyphenyl)-1-thiophen-2-ylethanamine;hydrochloride.

Molecular Properties

Compound NameN-ethyl-2-(4-methoxyphenyl)-1-thiophen-2-ylethanamine;hydrochloride
PubChem CID3062040
Molecular FormulaC15H20ClNOS
Molecular Weight297.85 g/mol
Exact Mass297.10
IUPAC NameN-ethyl-2-(4-methoxyphenyl)-1-thiophen-2-ylethanamine;hydrochloride
SMILESCCNC(Cc1ccc(OC)cc1)c1cccs1.Cl
InChIInChI=1S/C15H19NOS.ClH/c1-3-16-14(15-5-4-10-18-15)11-12-6-8-13(17-2)9-7-12;/h4-10,14,16H,3,11H2,1-2H3;1H
InChIKeyMCRZLHHVFLAFJK-UHFFFAOYSA-N
XLogP4.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.85
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-methoxyphenyl)-1-thiophen-2-ylethanamine;hydrochloride?
The IUPAC name of N-ethyl-2-(4-methoxyphenyl)-1-thiophen-2-ylethanamine;hydrochloride (CID 3062040) is N-ethyl-2-(4-methoxyphenyl)-1-thiophen-2-ylethanamine;hydrochloride.
What is the SMILES notation for N-ethyl-2-(4-methoxyphenyl)-1-thiophen-2-ylethanamine;hydrochloride?
The canonical SMILES for N-ethyl-2-(4-methoxyphenyl)-1-thiophen-2-ylethanamine;hydrochloride is CCNC(Cc1ccc(OC)cc1)c1cccs1.Cl.
What is the InChIKey of N-ethyl-2-(4-methoxyphenyl)-1-thiophen-2-ylethanamine;hydrochloride?
The InChIKey is MCRZLHHVFLAFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS.ClH/c1-3-16-14(15-5-4-10-18-15)11-12-6-8-13(17-2)9-7-12;/h4-10,14,16H,3,11H2,1-2H3;1H.
What are the key properties of N-ethyl-2-(4-methoxyphenyl)-1-thiophen-2-ylethanamine;hydrochloride?
N-ethyl-2-(4-methoxyphenyl)-1-thiophen-2-ylethanamine;hydrochloride has a molecular weight of 297.85 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-methoxyphenyl)-1-thiophen-2-ylethanamine;hydrochloride is sourced from PubChem (CID 3062040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).