4-[2-amino-1-(5-bromothiophen-2-yl)ethyl]phenol

C12H12BrNOS — CID 83987266

IUPAC4-[2-amino-1-(5-bromothiophen-2-yl)ethyl]phenol
SMILESNCC(c1ccc(O)cc1)c1ccc(Br)s1
InChIInChI=1S/C12H12BrNOS/c13-12-6-5-11(16-12)10(7-14)8-1-3-9(15)4-2-8/h1-6,10,15H,7,14H2
InChIKeyJBMISAICOQDSSQ-UHFFFAOYSA-N
MW298.21 g/mol
LogP3.31
Rot. Bonds3

About 4-[2-amino-1-(5-bromothiophen-2-yl)ethyl]phenol

4-[2-amino-1-(5-bromothiophen-2-yl)ethyl]phenol (PubChem CID 83987266) has the molecular formula C12H12BrNOS and a molecular weight of 298.21 g/mol. Its IUPAC name is 4-[2-amino-1-(5-bromothiophen-2-yl)ethyl]phenol.

Molecular Properties

Compound Name4-[2-amino-1-(5-bromothiophen-2-yl)ethyl]phenol
PubChem CID83987266
Molecular FormulaC12H12BrNOS
Molecular Weight298.21 g/mol
Exact Mass296.98
IUPAC Name4-[2-amino-1-(5-bromothiophen-2-yl)ethyl]phenol
SMILESNCC(c1ccc(O)cc1)c1ccc(Br)s1
InChIInChI=1S/C12H12BrNOS/c13-12-6-5-11(16-12)10(7-14)8-1-3-9(15)4-2-8/h1-6,10,15H,7,14H2
InChIKeyJBMISAICOQDSSQ-UHFFFAOYSA-N
XLogP3.31
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-1-(5-bromothiophen-2-yl)ethyl]phenol?
The IUPAC name of 4-[2-amino-1-(5-bromothiophen-2-yl)ethyl]phenol (CID 83987266) is 4-[2-amino-1-(5-bromothiophen-2-yl)ethyl]phenol.
What is the SMILES notation for 4-[2-amino-1-(5-bromothiophen-2-yl)ethyl]phenol?
The canonical SMILES for 4-[2-amino-1-(5-bromothiophen-2-yl)ethyl]phenol is NCC(c1ccc(O)cc1)c1ccc(Br)s1.
What is the InChIKey of 4-[2-amino-1-(5-bromothiophen-2-yl)ethyl]phenol?
The InChIKey is JBMISAICOQDSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNOS/c13-12-6-5-11(16-12)10(7-14)8-1-3-9(15)4-2-8/h1-6,10,15H,7,14H2.
What are the key properties of 4-[2-amino-1-(5-bromothiophen-2-yl)ethyl]phenol?
4-[2-amino-1-(5-bromothiophen-2-yl)ethyl]phenol has a molecular weight of 298.21 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-1-(5-bromothiophen-2-yl)ethyl]phenol is sourced from PubChem (CID 83987266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).