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

C12H20BrNOS — CID 116757917

IUPAC1-(3-bromothiophen-2-yl)-N-ethyl-2-methoxy-2-methylbutan-1-amine
SMILESCCNC(c1sccc1Br)C(C)(CC)OC
InChIInChI=1S/C12H20BrNOS/c1-5-12(3,15-4)11(14-6-2)10-9(13)7-8-16-10/h7-8,11,14H,5-6H2,1-4H3
InChIKeyKAVKDKUHEMOAHB-UHFFFAOYSA-N
MW306.27 g/mol
LogP3.98
Rot. Bonds6

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

1-(3-bromothiophen-2-yl)-N-ethyl-2-methoxy-2-methylbutan-1-amine (PubChem CID 116757917) 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-2-methoxy-2-methylbutan-1-amine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-N-ethyl-2-methoxy-2-methylbutan-1-amine
PubChem CID116757917
Molecular FormulaC12H20BrNOS
Molecular Weight306.27 g/mol
Exact Mass305.04
IUPAC Name1-(3-bromothiophen-2-yl)-N-ethyl-2-methoxy-2-methylbutan-1-amine
SMILESCCNC(c1sccc1Br)C(C)(CC)OC
InChIInChI=1S/C12H20BrNOS/c1-5-12(3,15-4)11(14-6-2)10-9(13)7-8-16-10/h7-8,11,14H,5-6H2,1-4H3
InChIKeyKAVKDKUHEMOAHB-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)-N-ethyl-3-methoxy-3-methylbutan-1-amine
CID 103028722
1-(3-bromothiophen-2-yl)-N-ethyl-3-methoxy-3-methylpentan-2-amine
CID 116757961
1-(3-bromothiophen-2-yl)-2-ethyl-2-methoxy-N-methylbutan-1-amine
CID 116760824
1-(3-bromothiophen-2-yl)-2,2-dimethyl-N-propylbutan-1-amine
CID 80536067
1-(3-bromothiophen-2-yl)-2-ethyl-2-methoxybutan-1-amine
CID 116760534
N-ethyl-2-methoxy-2-methyl-1-(5-methylthiophen-2-yl)butan-1-amine
CID 116758104
1-(3-bromothiophen-2-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine
CID 103028723
[1-(3-bromothiophen-2-yl)-3-methoxy-3-methylpentan-2-yl]hydrazine
CID 105274525
2-methoxy-2-methyl-1-(3-methylthiophen-2-yl)butan-1-ol
CID 116751816
1-(3-bromothiophen-2-yl)-N-ethylprop-2-yn-1-amine
CID 104995685
1-(3-bromothiophen-2-yl)-N-ethyl-2-methoxy-2-phenylethanamine
CID 116773064
3-bromo-2-(1-chloro-2,2-dimethylbutyl)thiophene
CID 80535903

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-N-ethyl-2-methoxy-2-methylbutan-1-amine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-N-ethyl-2-methoxy-2-methylbutan-1-amine (CID 116757917) is 1-(3-bromothiophen-2-yl)-N-ethyl-2-methoxy-2-methylbutan-1-amine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-N-ethyl-2-methoxy-2-methylbutan-1-amine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-N-ethyl-2-methoxy-2-methylbutan-1-amine is CCNC(c1sccc1Br)C(C)(CC)OC.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-N-ethyl-2-methoxy-2-methylbutan-1-amine?
The InChIKey is KAVKDKUHEMOAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrNOS/c1-5-12(3,15-4)11(14-6-2)10-9(13)7-8-16-10/h7-8,11,14H,5-6H2,1-4H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-N-ethyl-2-methoxy-2-methylbutan-1-amine?
1-(3-bromothiophen-2-yl)-N-ethyl-2-methoxy-2-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-2-methoxy-2-methylbutan-1-amine is sourced from PubChem (CID 116757917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).