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

C12H12BrNS — CID 3062010

IUPAC2-(4-bromophenyl)-1-thiophen-2-ylethanamine
SMILESNC(Cc1ccc(Br)cc1)c1cccs1
InChIInChI=1S/C12H12BrNS/c13-10-5-3-9(4-6-10)8-11(14)12-2-1-7-15-12/h1-7,11H,8,14H2
InChIKeyHCXFERVCPBICNA-UHFFFAOYSA-N
MW282.21 g/mol
LogP3.75
Rot. Bonds3

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

2-(4-bromophenyl)-1-thiophen-2-ylethanamine (PubChem CID 3062010) has the molecular formula C12H12BrNS and a molecular weight of 282.21 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-thiophen-2-ylethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-thiophen-2-ylethanamine
PubChem CID3062010
Molecular FormulaC12H12BrNS
Molecular Weight282.21 g/mol
Exact Mass280.99
IUPAC Name2-(4-bromophenyl)-1-thiophen-2-ylethanamine
SMILESNC(Cc1ccc(Br)cc1)c1cccs1
InChIInChI=1S/C12H12BrNS/c13-10-5-3-9(4-6-10)8-11(14)12-2-1-7-15-12/h1-7,11H,8,14H2
InChIKeyHCXFERVCPBICNA-UHFFFAOYSA-N
XLogP3.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.21
LogP ≤ 53.75
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?
The IUPAC name of 2-(4-bromophenyl)-1-thiophen-2-ylethanamine (CID 3062010) is 2-(4-bromophenyl)-1-thiophen-2-ylethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-1-thiophen-2-ylethanamine?
The canonical SMILES for 2-(4-bromophenyl)-1-thiophen-2-ylethanamine is NC(Cc1ccc(Br)cc1)c1cccs1.
What is the InChIKey of 2-(4-bromophenyl)-1-thiophen-2-ylethanamine?
The InChIKey is HCXFERVCPBICNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNS/c13-10-5-3-9(4-6-10)8-11(14)12-2-1-7-15-12/h1-7,11H,8,14H2.
What are the key properties of 2-(4-bromophenyl)-1-thiophen-2-ylethanamine?
2-(4-bromophenyl)-1-thiophen-2-ylethanamine has a molecular weight of 282.21 g/mol, XLogP of 3.75, 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 is sourced from PubChem (CID 3062010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).