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

C14H16BrNOS — CID 83133681

IUPAC2-(4-bromo-3-methylphenoxy)-2-(5-methylthiophen-2-yl)ethanamine
SMILESCc1ccc(C(CN)Oc2ccc(Br)c(C)c2)s1
InChIInChI=1S/C14H16BrNOS/c1-9-7-11(4-5-12(9)15)17-13(8-16)14-6-3-10(2)18-14/h3-7,13H,8,16H2,1-2H3
InChIKeyFYDDUXMJEJOOBV-UHFFFAOYSA-N
MW326.26 g/mol
LogP4.21
Rot. Bonds4

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

2-(4-bromo-3-methylphenoxy)-2-(5-methylthiophen-2-yl)ethanamine (PubChem CID 83133681) has the molecular formula C14H16BrNOS and a molecular weight of 326.26 g/mol. Its IUPAC name is 2-(4-bromo-3-methylphenoxy)-2-(5-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-3-methylphenoxy)-2-(5-methylthiophen-2-yl)ethanamine
PubChem CID83133681
Molecular FormulaC14H16BrNOS
Molecular Weight326.26 g/mol
Exact Mass325.01
IUPAC Name2-(4-bromo-3-methylphenoxy)-2-(5-methylthiophen-2-yl)ethanamine
SMILESCc1ccc(C(CN)Oc2ccc(Br)c(C)c2)s1
InChIInChI=1S/C14H16BrNOS/c1-9-7-11(4-5-12(9)15)17-13(8-16)14-6-3-10(2)18-14/h3-7,13H,8,16H2,1-2H3
InChIKeyFYDDUXMJEJOOBV-UHFFFAOYSA-N
XLogP4.21
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylphenoxy)-2-(5-methylthiophen-2-yl)ethanamine?
The IUPAC name of 2-(4-bromo-3-methylphenoxy)-2-(5-methylthiophen-2-yl)ethanamine (CID 83133681) is 2-(4-bromo-3-methylphenoxy)-2-(5-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(4-bromo-3-methylphenoxy)-2-(5-methylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-(4-bromo-3-methylphenoxy)-2-(5-methylthiophen-2-yl)ethanamine is Cc1ccc(C(CN)Oc2ccc(Br)c(C)c2)s1.
What is the InChIKey of 2-(4-bromo-3-methylphenoxy)-2-(5-methylthiophen-2-yl)ethanamine?
The InChIKey is FYDDUXMJEJOOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNOS/c1-9-7-11(4-5-12(9)15)17-13(8-16)14-6-3-10(2)18-14/h3-7,13H,8,16H2,1-2H3.
What are the key properties of 2-(4-bromo-3-methylphenoxy)-2-(5-methylthiophen-2-yl)ethanamine?
2-(4-bromo-3-methylphenoxy)-2-(5-methylthiophen-2-yl)ethanamine has a molecular weight of 326.26 g/mol, XLogP of 4.21, 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-methylphenoxy)-2-(5-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 83133681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).