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

C13H22BrNOS — CID 116757961

IUPAC1-(3-bromothiophen-2-yl)-N-ethyl-3-methoxy-3-methylpentan-2-amine
SMILESCCNC(Cc1sccc1Br)C(C)(CC)OC
InChIInChI=1S/C13H22BrNOS/c1-5-13(3,16-4)12(15-6-2)9-11-10(14)7-8-17-11/h7-8,12,15H,5-6,9H2,1-4H3
InChIKeyPQZPPDCZDQHXKQ-UHFFFAOYSA-N
MW320.30 g/mol
LogP3.85
Rot. Bonds7

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

1-(3-bromothiophen-2-yl)-N-ethyl-3-methoxy-3-methylpentan-2-amine (PubChem CID 116757961) has the molecular formula C13H22BrNOS and a molecular weight of 320.30 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-N-ethyl-3-methoxy-3-methylpentan-2-amine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-N-ethyl-3-methoxy-3-methylpentan-2-amine
PubChem CID116757961
Molecular FormulaC13H22BrNOS
Molecular Weight320.30 g/mol
Exact Mass319.06
IUPAC Name1-(3-bromothiophen-2-yl)-N-ethyl-3-methoxy-3-methylpentan-2-amine
SMILESCCNC(Cc1sccc1Br)C(C)(CC)OC
InChIInChI=1S/C13H22BrNOS/c1-5-13(3,16-4)12(15-6-2)9-11-10(14)7-8-17-11/h7-8,12,15H,5-6,9H2,1-4H3
InChIKeyPQZPPDCZDQHXKQ-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-bromothiophen-2-yl)-3-methoxy-3-methylpentan-2-yl]hydrazine
CID 105274525
1-(3-bromothiophen-2-yl)-N-ethyl-2-methoxy-2-methylbutan-1-amine
CID 116757917
1-(3-bromothiophen-2-yl)-N,3-diethyl-3-pyrrolidin-1-ylpentan-2-amine
CID 79057408
[1-(3-bromothiophen-2-yl)-3-ethoxy-3-ethylpentan-2-yl]hydrazine
CID 105275170
1-(3-bromo-4-fluorophenyl)-N-ethyl-3-methoxy-3-methylpentan-2-amine
CID 116757954
1-(3-bromothiophen-2-yl)-3-methoxy-3-methylbutan-2-ol
CID 79197988
4-(3-bromothiophen-2-yl)-3-hydrazinyl-N,N,2-trimethylbutan-2-amine
CID 105239061
1-(3-bromothiophen-2-yl)-N-ethyl-3-propylhexan-2-amine
CID 115849149
N-ethyl-3-methoxy-3-methyl-1-(2,4,6-trimethylphenyl)pentan-2-amine
CID 116757856
2-(3-bromothiophen-2-yl)-1-(2-tert-butylphenyl)-N-ethylethanamine
CID 115849010
2-(3-bromothiophen-2-yl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine
CID 103374586
1-(3-bromothiophen-2-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine
CID 103028722

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-N-ethyl-3-methoxy-3-methylpentan-2-amine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-N-ethyl-3-methoxy-3-methylpentan-2-amine (CID 116757961) is 1-(3-bromothiophen-2-yl)-N-ethyl-3-methoxy-3-methylpentan-2-amine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-N-ethyl-3-methoxy-3-methylpentan-2-amine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-N-ethyl-3-methoxy-3-methylpentan-2-amine is CCNC(Cc1sccc1Br)C(C)(CC)OC.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-N-ethyl-3-methoxy-3-methylpentan-2-amine?
The InChIKey is PQZPPDCZDQHXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrNOS/c1-5-13(3,16-4)12(15-6-2)9-11-10(14)7-8-17-11/h7-8,12,15H,5-6,9H2,1-4H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-N-ethyl-3-methoxy-3-methylpentan-2-amine?
1-(3-bromothiophen-2-yl)-N-ethyl-3-methoxy-3-methylpentan-2-amine has a molecular weight of 320.30 g/mol, XLogP of 3.85, 7 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-methylpentan-2-amine is sourced from PubChem (CID 116757961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).