1-(5-bromothiophen-2-yl)-3-ethoxypentan-2-amine

C11H18BrNOS — CID 116716220

IUPAC1-(5-bromothiophen-2-yl)-3-ethoxypentan-2-amine
SMILESCCOC(CC)C(N)Cc1ccc(Br)s1
InChIInChI=1S/C11H18BrNOS/c1-3-10(14-4-2)9(13)7-8-5-6-11(12)15-8/h5-6,9-10H,3-4,7,13H2,1-2H3
InChIKeyWHJCZSIGFUQRQM-UHFFFAOYSA-N
MW292.24 g/mol
LogP3.20
Rot. Bonds6

About 1-(5-bromothiophen-2-yl)-3-ethoxypentan-2-amine

1-(5-bromothiophen-2-yl)-3-ethoxypentan-2-amine (PubChem CID 116716220) has the molecular formula C11H18BrNOS and a molecular weight of 292.24 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-3-ethoxypentan-2-amine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-3-ethoxypentan-2-amine
PubChem CID116716220
Molecular FormulaC11H18BrNOS
Molecular Weight292.24 g/mol
Exact Mass291.03
IUPAC Name1-(5-bromothiophen-2-yl)-3-ethoxypentan-2-amine
SMILESCCOC(CC)C(N)Cc1ccc(Br)s1
InChIInChI=1S/C11H18BrNOS/c1-3-10(14-4-2)9(13)7-8-5-6-11(12)15-8/h5-6,9-10H,3-4,7,13H2,1-2H3
InChIKeyWHJCZSIGFUQRQM-UHFFFAOYSA-N
XLogP3.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromothiophen-2-yl)-3-methoxypentan-2-amine
CID 116715037
1-(5-bromothiophen-2-yl)-3-ethoxy-N-propylpentan-2-amine
CID 116717090
1-(5-bromothiophen-2-yl)butan-2-amine
CID 43565983
1-(4-bromophenyl)-3-ethoxypentan-2-amine
CID 116716310
1-(5-bromothiophen-2-yl)-3-methylpentan-2-ol
CID 63718703
1-(5-bromothiophen-2-yl)-3-ethoxy-3-methylpentan-2-amine
CID 116758429
[3-(5-bromothiophen-2-yl)-1-cyclopropyl-1-ethoxypropan-2-yl]hydrazine
CID 105272973
[1-(5-bromothiophen-2-yl)-3-ethylpentan-2-yl]hydrazine
CID 105295618
3-ethoxy-1-(5-fluoro-2-methylphenyl)pentan-2-amine
CID 105374355
1-(5-bromothiophen-2-yl)-5-methoxyhexan-2-amine
CID 105134782
2-(5-bromothiophen-2-yl)-1-(4-methylphenyl)ethanamine
CID 62607190
1-(5-bromothiophen-2-yl)-4-ethylhexane-2,3-diol
CID 103459887

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-3-ethoxypentan-2-amine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-3-ethoxypentan-2-amine (CID 116716220) is 1-(5-bromothiophen-2-yl)-3-ethoxypentan-2-amine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-3-ethoxypentan-2-amine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-3-ethoxypentan-2-amine is CCOC(CC)C(N)Cc1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-3-ethoxypentan-2-amine?
The InChIKey is WHJCZSIGFUQRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNOS/c1-3-10(14-4-2)9(13)7-8-5-6-11(12)15-8/h5-6,9-10H,3-4,7,13H2,1-2H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-3-ethoxypentan-2-amine?
1-(5-bromothiophen-2-yl)-3-ethoxypentan-2-amine has a molecular weight of 292.24 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-3-ethoxypentan-2-amine is sourced from PubChem (CID 116716220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).