[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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Related Compounds

2-(4-bromothiophen-2-yl)-2-(2,3-difluorophenoxy)ethanamine
CID 63037613
2-(4-bromothiophen-2-yl)-2-(2,5-difluorophenoxy)ethanamine
CID 63269156
2-(4-bromothiophen-2-yl)-2-(4-tert-butyl-2-methylphenoxy)ethanamine
CID 63459385
[2-[2-amino-1-(2-chlorophenyl)ethoxy]phenyl]methanol
CID 63653081
2-(4-bromothiophen-2-yl)-2-[4-(2-methylbutan-2-yl)phenoxy]ethanamine
CID 63458594
[2-(3-amino-3-methyl-1-phenylbutoxy)phenyl]methanol
CID 70258164
[2-[2-(aminomethyl)-5-bromophenoxy]phenyl]methanol
CID 63654318
[2-[2-amino-1-(3-bromophenyl)butoxy]phenyl]methanol
CID 63653949
2-(4-bromothiophen-2-yl)-2-(2-methylpentoxy)ethanamine
CID 103283048
2-(4-bromo-2-propan-2-ylphenoxy)-2-thiophen-2-ylethanamine
CID 115401637
2-[2-[2-amino-1-(4-chlorophenyl)ethoxy]phenyl]ethanol
CID 107712203
1-(4-bromothiophen-2-yl)-2-[(2-phenoxyphenyl)methylamino]ethanol
CID 23647934

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).