2-(4-bromothiophen-2-yl)-1-(2,6-dimethoxyphenyl)ethanamine

C14H16BrNO2S — CID 115847619

IUPAC2-(4-bromothiophen-2-yl)-1-(2,6-dimethoxyphenyl)ethanamine
SMILESCOc1cccc(OC)c1C(N)Cc1cc(Br)cs1
InChIInChI=1S/C14H16BrNO2S/c1-17-12-4-3-5-13(18-2)14(12)11(16)7-10-6-9(15)8-19-10/h3-6,8,11H,7,16H2,1-2H3
InChIKeyRHNCIXTXOCUQIH-UHFFFAOYSA-N
MW342.26 g/mol
LogP3.77
Rot. Bonds5

About 2-(4-bromothiophen-2-yl)-1-(2,6-dimethoxyphenyl)ethanamine

2-(4-bromothiophen-2-yl)-1-(2,6-dimethoxyphenyl)ethanamine (PubChem CID 115847619) has the molecular formula C14H16BrNO2S and a molecular weight of 342.26 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-1-(2,6-dimethoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-1-(2,6-dimethoxyphenyl)ethanamine
PubChem CID115847619
Molecular FormulaC14H16BrNO2S
Molecular Weight342.26 g/mol
Exact Mass341.01
IUPAC Name2-(4-bromothiophen-2-yl)-1-(2,6-dimethoxyphenyl)ethanamine
SMILESCOc1cccc(OC)c1C(N)Cc1cc(Br)cs1
InChIInChI=1S/C14H16BrNO2S/c1-17-12-4-3-5-13(18-2)14(12)11(16)7-10-6-9(15)8-19-10/h3-6,8,11H,7,16H2,1-2H3
InChIKeyRHNCIXTXOCUQIH-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromothiophen-2-yl)-1-(2,6-dimethoxyphenyl)ethanol
CID 115790186
[2-(4-bromothiophen-2-yl)-1-(2-fluoro-6-methoxyphenyl)ethyl]hydrazine
CID 105252540
1-(2-bromo-6-fluorophenyl)-2-(4-bromothiophen-2-yl)ethanamine
CID 114886786
[2-(4-bromothiophen-2-yl)-1-(2-methoxyphenyl)ethyl]hydrazine
CID 105191242
1-(2-bromo-3-methylphenyl)-2-(4-bromothiophen-2-yl)ethanamine
CID 107984904
1-(4-bromothiophen-2-yl)-3-(3-methoxyphenyl)propan-2-amine
CID 62602168
1-(4-bromothiophen-2-yl)-3-(2-methoxyphenyl)-N-methylpropan-2-amine
CID 62601023
2-(4-bromothiophen-2-yl)-1-(2,6-difluoro-3-methylphenyl)ethanamine
CID 115848001
2-(4-bromothiophen-2-yl)-1-(2,3-dimethoxyphenyl)-N-ethylethanamine
CID 105139259
2-(4-bromothiophen-2-yl)-1-(2-chloro-3-methylphenyl)ethanamine
CID 115847800
1-(2,6-dimethoxyphenyl)ethane-1,2-diamine
CID 22756535
1-(2,6-dimethoxyphenyl)-2-(4-ethylphenyl)ethanamine
CID 115803058

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-1-(2,6-dimethoxyphenyl)ethanamine?
The IUPAC name of 2-(4-bromothiophen-2-yl)-1-(2,6-dimethoxyphenyl)ethanamine (CID 115847619) is 2-(4-bromothiophen-2-yl)-1-(2,6-dimethoxyphenyl)ethanamine.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-1-(2,6-dimethoxyphenyl)ethanamine?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-1-(2,6-dimethoxyphenyl)ethanamine is COc1cccc(OC)c1C(N)Cc1cc(Br)cs1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-1-(2,6-dimethoxyphenyl)ethanamine?
The InChIKey is RHNCIXTXOCUQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO2S/c1-17-12-4-3-5-13(18-2)14(12)11(16)7-10-6-9(15)8-19-10/h3-6,8,11H,7,16H2,1-2H3.
What are the key properties of 2-(4-bromothiophen-2-yl)-1-(2,6-dimethoxyphenyl)ethanamine?
2-(4-bromothiophen-2-yl)-1-(2,6-dimethoxyphenyl)ethanamine has a molecular weight of 342.26 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-1-(2,6-dimethoxyphenyl)ethanamine is sourced from PubChem (CID 115847619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).