2-(4-bromo-3-fluorophenoxy)-2-(5-methylthiophen-2-yl)ethanamine

C13H13BrFNOS — CID 65204033

IUPAC2-(4-bromo-3-fluorophenoxy)-2-(5-methylthiophen-2-yl)ethanamine
SMILESCc1ccc(C(CN)Oc2ccc(Br)c(F)c2)s1
InChIInChI=1S/C13H13BrFNOS/c1-8-2-5-13(18-8)12(7-16)17-9-3-4-10(14)11(15)6-9/h2-6,12H,7,16H2,1H3
InChIKeyLQTHENZVWHRLIQ-UHFFFAOYSA-N
MW330.22 g/mol
LogP4.04
Rot. Bonds4

About 2-(4-bromo-3-fluorophenoxy)-2-(5-methylthiophen-2-yl)ethanamine

2-(4-bromo-3-fluorophenoxy)-2-(5-methylthiophen-2-yl)ethanamine (PubChem CID 65204033) has the molecular formula C13H13BrFNOS and a molecular weight of 330.22 g/mol. Its IUPAC name is 2-(4-bromo-3-fluorophenoxy)-2-(5-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-3-fluorophenoxy)-2-(5-methylthiophen-2-yl)ethanamine
PubChem CID65204033
Molecular FormulaC13H13BrFNOS
Molecular Weight330.22 g/mol
Exact Mass328.99
IUPAC Name2-(4-bromo-3-fluorophenoxy)-2-(5-methylthiophen-2-yl)ethanamine
SMILESCc1ccc(C(CN)Oc2ccc(Br)c(F)c2)s1
InChIInChI=1S/C13H13BrFNOS/c1-8-2-5-13(18-8)12(7-16)17-9-3-4-10(14)11(15)6-9/h2-6,12H,7,16H2,1H3
InChIKeyLQTHENZVWHRLIQ-UHFFFAOYSA-N
XLogP4.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromo-3-fluorophenoxy)-2-(5-methylthiophen-2-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromo-3-methylphenoxy)-2-(5-methylthiophen-2-yl)ethanamine
CID 83133681
2-(4-bromo-3-fluorophenoxy)-2-phenylethanamine
CID 65204084
2-(4-bromo-3-fluorophenoxy)-2-thiophen-3-ylethanamine
CID 65203482
2-(4-bromo-3-fluorophenoxy)-2-(3-bromophenyl)ethanamine
CID 65203686
2-[3-(methoxymethyl)phenoxy]-2-(5-methylthiophen-2-yl)ethanamine
CID 63986148
2-(4-bromo-3-methylphenoxy)-2-(4-fluorophenyl)ethanamine
CID 83133763
2-(3-bromo-4-fluorophenoxy)-2-(3-methylthiophen-2-yl)ethanamine
CID 83231873
2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(5-methylthiophen-2-yl)ethanamine
CID 112587173
2-cyclobutyloxy-2-(5-methylthiophen-2-yl)ethanamine
CID 62115241
2-(3-bromo-4-fluorophenoxy)-2-(3-methylphenyl)ethanamine
CID 83233344
2-(4-bromo-3-methylphenoxy)-2-(4-chlorophenyl)ethanamine
CID 83133250
2-(3-bromo-4-fluorophenoxy)-2-(3-fluorophenyl)ethanamine
CID 83232351

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-fluorophenoxy)-2-(5-methylthiophen-2-yl)ethanamine?
The IUPAC name of 2-(4-bromo-3-fluorophenoxy)-2-(5-methylthiophen-2-yl)ethanamine (CID 65204033) is 2-(4-bromo-3-fluorophenoxy)-2-(5-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(4-bromo-3-fluorophenoxy)-2-(5-methylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-(4-bromo-3-fluorophenoxy)-2-(5-methylthiophen-2-yl)ethanamine is Cc1ccc(C(CN)Oc2ccc(Br)c(F)c2)s1.
What is the InChIKey of 2-(4-bromo-3-fluorophenoxy)-2-(5-methylthiophen-2-yl)ethanamine?
The InChIKey is LQTHENZVWHRLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFNOS/c1-8-2-5-13(18-8)12(7-16)17-9-3-4-10(14)11(15)6-9/h2-6,12H,7,16H2,1H3.
What are the key properties of 2-(4-bromo-3-fluorophenoxy)-2-(5-methylthiophen-2-yl)ethanamine?
2-(4-bromo-3-fluorophenoxy)-2-(5-methylthiophen-2-yl)ethanamine has a molecular weight of 330.22 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-fluorophenoxy)-2-(5-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 65204033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).