1-(3-bromothiophen-2-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine

C12H20BrNOS — CID 103028722

IUPAC1-(3-bromothiophen-2-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine
SMILESCCNC(CC(C)(C)OC)c1sccc1Br
InChIInChI=1S/C12H20BrNOS/c1-5-14-10(8-12(2,3)15-4)11-9(13)6-7-16-11/h6-7,10,14H,5,8H2,1-4H3
InChIKeyDMSCFPDJQVQWMD-UHFFFAOYSA-N
MW306.27 g/mol
LogP3.98
Rot. Bonds6

About 1-(3-bromothiophen-2-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine

1-(3-bromothiophen-2-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine (PubChem CID 103028722) has the molecular formula C12H20BrNOS and a molecular weight of 306.27 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine
PubChem CID103028722
Molecular FormulaC12H20BrNOS
Molecular Weight306.27 g/mol
Exact Mass305.04
IUPAC Name1-(3-bromothiophen-2-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine
SMILESCCNC(CC(C)(C)OC)c1sccc1Br
InChIInChI=1S/C12H20BrNOS/c1-5-14-10(8-12(2,3)15-4)11-9(13)6-7-16-11/h6-7,10,14H,5,8H2,1-4H3
InChIKeyDMSCFPDJQVQWMD-UHFFFAOYSA-N
XLogP3.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.27
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromothiophen-2-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine
CID 103028723
1-(3-bromothiophen-2-yl)-N-ethyl-2-methoxy-2-methylbutan-1-amine
CID 116757917
1-(3-bromothiophen-2-yl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 55239729
1-(3-bromothiophen-2-yl)-N-ethylundecan-1-amine
CID 115845930
2-(4-bromophenyl)-1-(3-bromothiophen-2-yl)-N-ethylethanamine
CID 63797423
2-(5-bromo-2-methoxyphenyl)-1-(3-bromothiophen-2-yl)-N-ethylethanamine
CID 115817250
1-(3-bromothiophen-2-yl)-N-ethyl-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115829741
1-(3-bromothiophen-2-yl)-N-ethyl-2-(2,4,6-trimethylphenyl)ethanamine
CID 115828971
1-(3-bromothiophen-2-yl)-N-ethyl-2-(4-propan-2-ylphenyl)ethanamine
CID 115844263
1-(3-bromothiophen-2-yl)-N-ethyl-3-thiophen-3-ylpropan-1-amine
CID 115857053
1-(3-bromothiophen-2-yl)-2-ethyl-2-methoxy-N-methylbutan-1-amine
CID 116760824
1-(3-bromothiophen-2-yl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051140

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine (CID 103028722) is 1-(3-bromothiophen-2-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine is CCNC(CC(C)(C)OC)c1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine?
The InChIKey is DMSCFPDJQVQWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrNOS/c1-5-14-10(8-12(2,3)15-4)11-9(13)6-7-16-11/h6-7,10,14H,5,8H2,1-4H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine?
1-(3-bromothiophen-2-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine has a molecular weight of 306.27 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine is sourced from PubChem (CID 103028722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).