2-[3-bromo-4-(2-thiophen-2-ylethoxy)phenyl]ethanamine

C14H16BrNOS — CID 63773539

IUPAC2-[3-bromo-4-(2-thiophen-2-ylethoxy)phenyl]ethanamine
SMILESNCCc1ccc(OCCc2cccs2)c(Br)c1
InChIInChI=1S/C14H16BrNOS/c15-13-10-11(5-7-16)3-4-14(13)17-8-6-12-2-1-9-18-12/h1-4,9-10H,5-8,16H2
InChIKeyHFJQYXNEBXDBPB-UHFFFAOYSA-N
MW326.26 g/mol
LogP3.63
Rot. Bonds6

About 2-[3-bromo-4-(2-thiophen-2-ylethoxy)phenyl]ethanamine

2-[3-bromo-4-(2-thiophen-2-ylethoxy)phenyl]ethanamine (PubChem CID 63773539) has the molecular formula C14H16BrNOS and a molecular weight of 326.26 g/mol. Its IUPAC name is 2-[3-bromo-4-(2-thiophen-2-ylethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-bromo-4-(2-thiophen-2-ylethoxy)phenyl]ethanamine
PubChem CID63773539
Molecular FormulaC14H16BrNOS
Molecular Weight326.26 g/mol
Exact Mass325.01
IUPAC Name2-[3-bromo-4-(2-thiophen-2-ylethoxy)phenyl]ethanamine
SMILESNCCc1ccc(OCCc2cccs2)c(Br)c1
InChIInChI=1S/C14H16BrNOS/c15-13-10-11(5-7-16)3-4-14(13)17-8-6-12-2-1-9-18-12/h1-4,9-10H,5-8,16H2
InChIKeyHFJQYXNEBXDBPB-UHFFFAOYSA-N
XLogP3.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-4-(2-thiophen-2-ylethoxy)phenyl]ethanamine?
The IUPAC name of 2-[3-bromo-4-(2-thiophen-2-ylethoxy)phenyl]ethanamine (CID 63773539) is 2-[3-bromo-4-(2-thiophen-2-ylethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[3-bromo-4-(2-thiophen-2-ylethoxy)phenyl]ethanamine?
The canonical SMILES for 2-[3-bromo-4-(2-thiophen-2-ylethoxy)phenyl]ethanamine is NCCc1ccc(OCCc2cccs2)c(Br)c1.
What is the InChIKey of 2-[3-bromo-4-(2-thiophen-2-ylethoxy)phenyl]ethanamine?
The InChIKey is HFJQYXNEBXDBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNOS/c15-13-10-11(5-7-16)3-4-14(13)17-8-6-12-2-1-9-18-12/h1-4,9-10H,5-8,16H2.
What are the key properties of 2-[3-bromo-4-(2-thiophen-2-ylethoxy)phenyl]ethanamine?
2-[3-bromo-4-(2-thiophen-2-ylethoxy)phenyl]ethanamine has a molecular weight of 326.26 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-4-(2-thiophen-2-ylethoxy)phenyl]ethanamine is sourced from PubChem (CID 63773539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).