1-(4-bromothiophen-3-yl)-1-(2-chlorophenyl)ethanamine

C12H11BrClNS — CID 79595717

IUPAC1-(4-bromothiophen-3-yl)-1-(2-chlorophenyl)ethanamine
SMILESCC(N)(c1ccccc1Cl)c1cscc1Br
InChIInChI=1S/C12H11BrClNS/c1-12(15,9-6-16-7-10(9)13)8-4-2-3-5-11(8)14/h2-7H,15H2,1H3
InChIKeyAYNLOHFYSSWFQK-UHFFFAOYSA-N
MW316.65 g/mol
LogP4.39
Rot. Bonds2

About 1-(4-bromothiophen-3-yl)-1-(2-chlorophenyl)ethanamine

1-(4-bromothiophen-3-yl)-1-(2-chlorophenyl)ethanamine (PubChem CID 79595717) has the molecular formula C12H11BrClNS and a molecular weight of 316.65 g/mol. Its IUPAC name is 1-(4-bromothiophen-3-yl)-1-(2-chlorophenyl)ethanamine.

Molecular Properties

Compound Name1-(4-bromothiophen-3-yl)-1-(2-chlorophenyl)ethanamine
PubChem CID79595717
Molecular FormulaC12H11BrClNS
Molecular Weight316.65 g/mol
Exact Mass314.95
IUPAC Name1-(4-bromothiophen-3-yl)-1-(2-chlorophenyl)ethanamine
SMILESCC(N)(c1ccccc1Cl)c1cscc1Br
InChIInChI=1S/C12H11BrClNS/c1-12(15,9-6-16-7-10(9)13)8-4-2-3-5-11(8)14/h2-7H,15H2,1H3
InChIKeyAYNLOHFYSSWFQK-UHFFFAOYSA-N
XLogP4.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.65
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-3-yl)-1-(2-chlorophenyl)ethanamine?
The IUPAC name of 1-(4-bromothiophen-3-yl)-1-(2-chlorophenyl)ethanamine (CID 79595717) is 1-(4-bromothiophen-3-yl)-1-(2-chlorophenyl)ethanamine.
What is the SMILES notation for 1-(4-bromothiophen-3-yl)-1-(2-chlorophenyl)ethanamine?
The canonical SMILES for 1-(4-bromothiophen-3-yl)-1-(2-chlorophenyl)ethanamine is CC(N)(c1ccccc1Cl)c1cscc1Br.
What is the InChIKey of 1-(4-bromothiophen-3-yl)-1-(2-chlorophenyl)ethanamine?
The InChIKey is AYNLOHFYSSWFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClNS/c1-12(15,9-6-16-7-10(9)13)8-4-2-3-5-11(8)14/h2-7H,15H2,1H3.
What are the key properties of 1-(4-bromothiophen-3-yl)-1-(2-chlorophenyl)ethanamine?
1-(4-bromothiophen-3-yl)-1-(2-chlorophenyl)ethanamine has a molecular weight of 316.65 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-3-yl)-1-(2-chlorophenyl)ethanamine is sourced from PubChem (CID 79595717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).