1-(5-bromothiophen-2-yl)-N-[(2-methylpropan-2-yl)oxy]ethanamine

C10H16BrNOS — CID 82719779

IUPAC1-(5-bromothiophen-2-yl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
SMILESCC(NOC(C)(C)C)c1ccc(Br)s1
InChIInChI=1S/C10H16BrNOS/c1-7(12-13-10(2,3)4)8-5-6-9(11)14-8/h5-7,12H,1-4H3
InChIKeyMOPYGYCQVJCGJI-UHFFFAOYSA-N
MW278.22 g/mol
LogP3.89
Rot. Bonds3

About 1-(5-bromothiophen-2-yl)-N-[(2-methylpropan-2-yl)oxy]ethanamine

1-(5-bromothiophen-2-yl)-N-[(2-methylpropan-2-yl)oxy]ethanamine (PubChem CID 82719779) has the molecular formula C10H16BrNOS and a molecular weight of 278.22 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-N-[(2-methylpropan-2-yl)oxy]ethanamine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
PubChem CID82719779
Molecular FormulaC10H16BrNOS
Molecular Weight278.22 g/mol
Exact Mass277.01
IUPAC Name1-(5-bromothiophen-2-yl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
SMILESCC(NOC(C)(C)C)c1ccc(Br)s1
InChIInChI=1S/C10H16BrNOS/c1-7(12-13-10(2,3)4)8-5-6-9(11)14-8/h5-7,12H,1-4H3
InChIKeyMOPYGYCQVJCGJI-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.22
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-N-[(2-methylpropan-2-yl)oxy]ethanamine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-N-[(2-methylpropan-2-yl)oxy]ethanamine (CID 82719779) is 1-(5-bromothiophen-2-yl)-N-[(2-methylpropan-2-yl)oxy]ethanamine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-N-[(2-methylpropan-2-yl)oxy]ethanamine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-N-[(2-methylpropan-2-yl)oxy]ethanamine is CC(NOC(C)(C)C)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-N-[(2-methylpropan-2-yl)oxy]ethanamine?
The InChIKey is MOPYGYCQVJCGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNOS/c1-7(12-13-10(2,3)4)8-5-6-9(11)14-8/h5-7,12H,1-4H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-N-[(2-methylpropan-2-yl)oxy]ethanamine?
1-(5-bromothiophen-2-yl)-N-[(2-methylpropan-2-yl)oxy]ethanamine has a molecular weight of 278.22 g/mol, XLogP of 3.89, 3 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)-N-[(2-methylpropan-2-yl)oxy]ethanamine is sourced from PubChem (CID 82719779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).