1-(3-bromothiophen-2-yl)-2-ethyl-2-methoxybutan-1-amine

C11H18BrNOS — CID 116760534

IUPAC1-(3-bromothiophen-2-yl)-2-ethyl-2-methoxybutan-1-amine
SMILESCCC(CC)(OC)C(N)c1sccc1Br
InChIInChI=1S/C11H18BrNOS/c1-4-11(5-2,14-3)10(13)9-8(12)6-7-15-9/h6-7,10H,4-5,13H2,1-3H3
InChIKeyFEOHLIOHJSDKED-UHFFFAOYSA-N
MW292.24 g/mol
LogP3.72
Rot. Bonds5

About 1-(3-bromothiophen-2-yl)-2-ethyl-2-methoxybutan-1-amine

1-(3-bromothiophen-2-yl)-2-ethyl-2-methoxybutan-1-amine (PubChem CID 116760534) has the molecular formula C11H18BrNOS and a molecular weight of 292.24 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-2-ethyl-2-methoxybutan-1-amine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-2-ethyl-2-methoxybutan-1-amine
PubChem CID116760534
Molecular FormulaC11H18BrNOS
Molecular Weight292.24 g/mol
Exact Mass291.03
IUPAC Name1-(3-bromothiophen-2-yl)-2-ethyl-2-methoxybutan-1-amine
SMILESCCC(CC)(OC)C(N)c1sccc1Br
InChIInChI=1S/C11H18BrNOS/c1-4-11(5-2,14-3)10(13)9-8(12)6-7-15-9/h6-7,10H,4-5,13H2,1-3H3
InChIKeyFEOHLIOHJSDKED-UHFFFAOYSA-N
XLogP3.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromothiophen-2-yl)-2-ethyl-2-methoxy-N-methylbutan-1-amine
CID 116760824
1-(3-bromothiophen-2-yl)-2-ethoxy-2-methylpropan-1-amine
CID 116726184
(1S)-1-(3-bromothiophen-2-yl)-2,2,3,3,3-pentafluoropropan-1-amine
CID 131352754
1-(3-bromothiophen-2-yl)-N-ethyl-2-methoxy-2-methylbutan-1-amine
CID 116757917
(1S)-1-(3-bromothiophen-2-yl)-2-methylpropan-1-amine
CID 131098099
1-(3-bromothiophen-2-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine
CID 103028722
3-bromo-2-(1-chloro-2,2-dimethylbutyl)thiophene
CID 80535903
2-(aminomethyl)-1-(3-bromothiophen-2-yl)-2-methylbutan-1-ol
CID 115381489
(2-bromo-4,5-dimethoxyphenyl)-(3-bromothiophen-2-yl)methanamine
CID 63796861
1-(3-bromothiophen-2-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine
CID 103028723
ethyl (3S)-3-amino-3-(3-bromothiophen-2-yl)propanoate;hydrochloride
CID 171230640
[1-(3-bromothiophen-2-yl)-2-tert-butylsulfanylethyl]hydrazine
CID 105226600

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-2-ethyl-2-methoxybutan-1-amine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-2-ethyl-2-methoxybutan-1-amine (CID 116760534) is 1-(3-bromothiophen-2-yl)-2-ethyl-2-methoxybutan-1-amine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-2-ethyl-2-methoxybutan-1-amine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-2-ethyl-2-methoxybutan-1-amine is CCC(CC)(OC)C(N)c1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-2-ethyl-2-methoxybutan-1-amine?
The InChIKey is FEOHLIOHJSDKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNOS/c1-4-11(5-2,14-3)10(13)9-8(12)6-7-15-9/h6-7,10H,4-5,13H2,1-3H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-2-ethyl-2-methoxybutan-1-amine?
1-(3-bromothiophen-2-yl)-2-ethyl-2-methoxybutan-1-amine has a molecular weight of 292.24 g/mol, XLogP of 3.72, 5 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)-2-ethyl-2-methoxybutan-1-amine is sourced from PubChem (CID 116760534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).