[2-[2-amino-1-(4-bromothiophen-2-yl)ethoxy]phenyl]methanol

C13H14BrNO2S — CID 63652900

IUPAC[2-[2-amino-1-(4-bromothiophen-2-yl)ethoxy]phenyl]methanol
SMILESNCC(Oc1ccccc1CO)c1cc(Br)cs1
InChIInChI=1S/C13H14BrNO2S/c14-10-5-13(18-8-10)12(6-15)17-11-4-2-1-3-9(11)7-16/h1-5,8,12,16H,6-7,15H2
InChIKeyCVENMXDWQWTLMA-UHFFFAOYSA-N
MW328.23 g/mol
LogP3.08
Rot. Bonds5

About [2-[2-amino-1-(4-bromothiophen-2-yl)ethoxy]phenyl]methanol

[2-[2-amino-1-(4-bromothiophen-2-yl)ethoxy]phenyl]methanol (PubChem CID 63652900) has the molecular formula C13H14BrNO2S and a molecular weight of 328.23 g/mol. Its IUPAC name is [2-[2-amino-1-(4-bromothiophen-2-yl)ethoxy]phenyl]methanol.

Molecular Properties

Compound Name[2-[2-amino-1-(4-bromothiophen-2-yl)ethoxy]phenyl]methanol
PubChem CID63652900
Molecular FormulaC13H14BrNO2S
Molecular Weight328.23 g/mol
Exact Mass326.99
IUPAC Name[2-[2-amino-1-(4-bromothiophen-2-yl)ethoxy]phenyl]methanol
SMILESNCC(Oc1ccccc1CO)c1cc(Br)cs1
InChIInChI=1S/C13H14BrNO2S/c14-10-5-13(18-8-10)12(6-15)17-11-4-2-1-3-9(11)7-16/h1-5,8,12,16H,6-7,15H2
InChIKeyCVENMXDWQWTLMA-UHFFFAOYSA-N
XLogP3.08
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.23
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[2-amino-1-(4-bromothiophen-2-yl)ethoxy]phenyl]methanol?
The IUPAC name of [2-[2-amino-1-(4-bromothiophen-2-yl)ethoxy]phenyl]methanol (CID 63652900) is [2-[2-amino-1-(4-bromothiophen-2-yl)ethoxy]phenyl]methanol.
What is the SMILES notation for [2-[2-amino-1-(4-bromothiophen-2-yl)ethoxy]phenyl]methanol?
The canonical SMILES for [2-[2-amino-1-(4-bromothiophen-2-yl)ethoxy]phenyl]methanol is NCC(Oc1ccccc1CO)c1cc(Br)cs1.
What is the InChIKey of [2-[2-amino-1-(4-bromothiophen-2-yl)ethoxy]phenyl]methanol?
The InChIKey is CVENMXDWQWTLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO2S/c14-10-5-13(18-8-10)12(6-15)17-11-4-2-1-3-9(11)7-16/h1-5,8,12,16H,6-7,15H2.
What are the key properties of [2-[2-amino-1-(4-bromothiophen-2-yl)ethoxy]phenyl]methanol?
[2-[2-amino-1-(4-bromothiophen-2-yl)ethoxy]phenyl]methanol has a molecular weight of 328.23 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-amino-1-(4-bromothiophen-2-yl)ethoxy]phenyl]methanol is sourced from PubChem (CID 63652900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).