2-(2-bromo-4-methoxyphenoxy)-2-(3-methylthiophen-2-yl)ethanamine

C14H16BrNO2S — CID 104706707

IUPAC2-(2-bromo-4-methoxyphenoxy)-2-(3-methylthiophen-2-yl)ethanamine
SMILESCOc1ccc(OC(CN)c2sccc2C)c(Br)c1
InChIInChI=1S/C14H16BrNO2S/c1-9-5-6-19-14(9)13(8-16)18-12-4-3-10(17-2)7-11(12)15/h3-7,13H,8,16H2,1-2H3
InChIKeyALHOVZXGQNHTND-UHFFFAOYSA-N
MW342.26 g/mol
LogP3.91
Rot. Bonds5

About 2-(2-bromo-4-methoxyphenoxy)-2-(3-methylthiophen-2-yl)ethanamine

2-(2-bromo-4-methoxyphenoxy)-2-(3-methylthiophen-2-yl)ethanamine (PubChem CID 104706707) has the molecular formula C14H16BrNO2S and a molecular weight of 342.26 g/mol. Its IUPAC name is 2-(2-bromo-4-methoxyphenoxy)-2-(3-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2-bromo-4-methoxyphenoxy)-2-(3-methylthiophen-2-yl)ethanamine
PubChem CID104706707
Molecular FormulaC14H16BrNO2S
Molecular Weight342.26 g/mol
Exact Mass341.01
IUPAC Name2-(2-bromo-4-methoxyphenoxy)-2-(3-methylthiophen-2-yl)ethanamine
SMILESCOc1ccc(OC(CN)c2sccc2C)c(Br)c1
InChIInChI=1S/C14H16BrNO2S/c1-9-5-6-19-14(9)13(8-16)18-12-4-3-10(17-2)7-11(12)15/h3-7,13H,8,16H2,1-2H3
InChIKeyALHOVZXGQNHTND-UHFFFAOYSA-N
XLogP3.91
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.26
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromo-4-fluorophenoxy)-2-(3-methylthiophen-2-yl)ethanamine
CID 83231873
2-(2-bromo-4-methoxyphenoxy)-2-pyridin-4-ylethanamine
CID 104706773
2-(2-bromo-4-methoxyphenoxy)-2-(2-fluorophenyl)ethanamine
CID 104706806
2-[bromo-(2,5-dimethoxyphenyl)methyl]-3-methylthiophene
CID 61096679
2-(2-bromo-5-methoxyphenyl)-1-(3-methylthiophen-2-yl)ethanol
CID 65327412
3-bromo-2-[(2-bromo-4-methoxyphenoxy)methyl]thiophene
CID 104707478
(3-bromo-4-methoxyphenyl)-(3-methylthiophen-2-yl)methanol
CID 54978962
2-cyclobutyloxy-2-(3-methylthiophen-2-yl)ethanamine
CID 62115425
(2-bromo-4-methoxyphenyl)-(3-bromothiophen-2-yl)methanamine
CID 63797566
2-(2,4-dibromophenoxy)-2-(2-methylphenyl)ethanamine
CID 64721518
(3-bromothiophen-2-yl)-(2,4-dimethoxyphenyl)methanamine
CID 55240103
2-(2,5-dibromo-4-methoxyphenoxy)-2-(5-methylfuran-2-yl)ethanamine
CID 79415742

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methoxyphenoxy)-2-(3-methylthiophen-2-yl)ethanamine?
The IUPAC name of 2-(2-bromo-4-methoxyphenoxy)-2-(3-methylthiophen-2-yl)ethanamine (CID 104706707) is 2-(2-bromo-4-methoxyphenoxy)-2-(3-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(2-bromo-4-methoxyphenoxy)-2-(3-methylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-(2-bromo-4-methoxyphenoxy)-2-(3-methylthiophen-2-yl)ethanamine is COc1ccc(OC(CN)c2sccc2C)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methoxyphenoxy)-2-(3-methylthiophen-2-yl)ethanamine?
The InChIKey is ALHOVZXGQNHTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO2S/c1-9-5-6-19-14(9)13(8-16)18-12-4-3-10(17-2)7-11(12)15/h3-7,13H,8,16H2,1-2H3.
What are the key properties of 2-(2-bromo-4-methoxyphenoxy)-2-(3-methylthiophen-2-yl)ethanamine?
2-(2-bromo-4-methoxyphenoxy)-2-(3-methylthiophen-2-yl)ethanamine has a molecular weight of 342.26 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methoxyphenoxy)-2-(3-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 104706707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).