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

C12H13BrClNS — CID 3062009

IUPAC2-(4-bromophenyl)-1-thiophen-2-ylethanamine;hydrochloride
SMILESCl.NC(Cc1ccc(Br)cc1)c1cccs1
InChIInChI=1S/C12H12BrNS.ClH/c13-10-5-3-9(4-6-10)8-11(14)12-2-1-7-15-12;/h1-7,11H,8,14H2;1H
InChIKeyDWHMWIOPLGUPON-UHFFFAOYSA-N
MW318.67 g/mol
LogP4.17
Rot. Bonds3

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

2-(4-bromophenyl)-1-thiophen-2-ylethanamine;hydrochloride (PubChem CID 3062009) has the molecular formula C12H13BrClNS and a molecular weight of 318.67 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-thiophen-2-ylethanamine;hydrochloride.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-thiophen-2-ylethanamine;hydrochloride
PubChem CID3062009
Molecular FormulaC12H13BrClNS
Molecular Weight318.67 g/mol
Exact Mass316.96
IUPAC Name2-(4-bromophenyl)-1-thiophen-2-ylethanamine;hydrochloride
SMILESCl.NC(Cc1ccc(Br)cc1)c1cccs1
InChIInChI=1S/C12H12BrNS.ClH/c13-10-5-3-9(4-6-10)8-11(14)12-2-1-7-15-12;/h1-7,11H,8,14H2;1H
InChIKeyDWHMWIOPLGUPON-UHFFFAOYSA-N
XLogP4.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.67
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-thiophen-2-ylethanamine;hydrochloride?
The IUPAC name of 2-(4-bromophenyl)-1-thiophen-2-ylethanamine;hydrochloride (CID 3062009) is 2-(4-bromophenyl)-1-thiophen-2-ylethanamine;hydrochloride.
What is the SMILES notation for 2-(4-bromophenyl)-1-thiophen-2-ylethanamine;hydrochloride?
The canonical SMILES for 2-(4-bromophenyl)-1-thiophen-2-ylethanamine;hydrochloride is Cl.NC(Cc1ccc(Br)cc1)c1cccs1.
What is the InChIKey of 2-(4-bromophenyl)-1-thiophen-2-ylethanamine;hydrochloride?
The InChIKey is DWHMWIOPLGUPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNS.ClH/c13-10-5-3-9(4-6-10)8-11(14)12-2-1-7-15-12;/h1-7,11H,8,14H2;1H.
What are the key properties of 2-(4-bromophenyl)-1-thiophen-2-ylethanamine;hydrochloride?
2-(4-bromophenyl)-1-thiophen-2-ylethanamine;hydrochloride has a molecular weight of 318.67 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-thiophen-2-ylethanamine;hydrochloride is sourced from PubChem (CID 3062009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).