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

C14H17Cl2NS — CID 3062045

IUPAC2-(4-chlorophenyl)-N-ethyl-1-thiophen-2-ylethanamine;hydrochloride
SMILESCCNC(Cc1ccc(Cl)cc1)c1cccs1.Cl
InChIInChI=1S/C14H16ClNS.ClH/c1-2-16-13(14-4-3-9-17-14)10-11-5-7-12(15)8-6-11;/h3-9,13,16H,2,10H2,1H3;1H
InChIKeyPXGRXEXEIBLNSU-UHFFFAOYSA-N
MW302.27 g/mol
LogP4.72
Rot. Bonds5

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

2-(4-chlorophenyl)-N-ethyl-1-thiophen-2-ylethanamine;hydrochloride (PubChem CID 3062045) has the molecular formula C14H17Cl2NS and a molecular weight of 302.27 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-ethyl-1-thiophen-2-ylethanamine;hydrochloride.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-ethyl-1-thiophen-2-ylethanamine;hydrochloride
PubChem CID3062045
Molecular FormulaC14H17Cl2NS
Molecular Weight302.27 g/mol
Exact Mass301.05
IUPAC Name2-(4-chlorophenyl)-N-ethyl-1-thiophen-2-ylethanamine;hydrochloride
SMILESCCNC(Cc1ccc(Cl)cc1)c1cccs1.Cl
InChIInChI=1S/C14H16ClNS.ClH/c1-2-16-13(14-4-3-9-17-14)10-11-5-7-12(15)8-6-11;/h3-9,13,16H,2,10H2,1H3;1H
InChIKeyPXGRXEXEIBLNSU-UHFFFAOYSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.27
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-ethyl-1-thiophen-2-ylethanamine;hydrochloride?
The IUPAC name of 2-(4-chlorophenyl)-N-ethyl-1-thiophen-2-ylethanamine;hydrochloride (CID 3062045) is 2-(4-chlorophenyl)-N-ethyl-1-thiophen-2-ylethanamine;hydrochloride.
What is the SMILES notation for 2-(4-chlorophenyl)-N-ethyl-1-thiophen-2-ylethanamine;hydrochloride?
The canonical SMILES for 2-(4-chlorophenyl)-N-ethyl-1-thiophen-2-ylethanamine;hydrochloride is CCNC(Cc1ccc(Cl)cc1)c1cccs1.Cl.
What is the InChIKey of 2-(4-chlorophenyl)-N-ethyl-1-thiophen-2-ylethanamine;hydrochloride?
The InChIKey is PXGRXEXEIBLNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNS.ClH/c1-2-16-13(14-4-3-9-17-14)10-11-5-7-12(15)8-6-11;/h3-9,13,16H,2,10H2,1H3;1H.
What are the key properties of 2-(4-chlorophenyl)-N-ethyl-1-thiophen-2-ylethanamine;hydrochloride?
2-(4-chlorophenyl)-N-ethyl-1-thiophen-2-ylethanamine;hydrochloride has a molecular weight of 302.27 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-ethyl-1-thiophen-2-ylethanamine;hydrochloride is sourced from PubChem (CID 3062045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).