1-(5-bromothiophen-2-yl)-2-methylpropan-1-amine

C8H12BrNS — CID 60730317

IUPAC1-(5-bromothiophen-2-yl)-2-methylpropan-1-amine
SMILESCC(C)C(N)c1ccc(Br)s1
InChIInChI=1S/C8H12BrNS/c1-5(2)8(10)6-3-4-7(9)11-6/h3-5,8H,10H2,1-2H3
InChIKeyHNBMQFZYQPGQCK-UHFFFAOYSA-N
MW234.16 g/mol
LogP3.17
Rot. Bonds2

About 1-(5-bromothiophen-2-yl)-2-methylpropan-1-amine

1-(5-bromothiophen-2-yl)-2-methylpropan-1-amine (PubChem CID 60730317) has the molecular formula C8H12BrNS and a molecular weight of 234.16 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-2-methylpropan-1-amine
PubChem CID60730317
Molecular FormulaC8H12BrNS
Molecular Weight234.16 g/mol
Exact Mass232.99
IUPAC Name1-(5-bromothiophen-2-yl)-2-methylpropan-1-amine
SMILESCC(C)C(N)c1ccc(Br)s1
InChIInChI=1S/C8H12BrNS/c1-5(2)8(10)6-3-4-7(9)11-6/h3-5,8H,10H2,1-2H3
InChIKeyHNBMQFZYQPGQCK-UHFFFAOYSA-N
XLogP3.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.16
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-2-methylpropan-1-amine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-2-methylpropan-1-amine (CID 60730317) is 1-(5-bromothiophen-2-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-2-methylpropan-1-amine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-2-methylpropan-1-amine is CC(C)C(N)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-2-methylpropan-1-amine?
The InChIKey is HNBMQFZYQPGQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrNS/c1-5(2)8(10)6-3-4-7(9)11-6/h3-5,8H,10H2,1-2H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-2-methylpropan-1-amine?
1-(5-bromothiophen-2-yl)-2-methylpropan-1-amine has a molecular weight of 234.16 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 60730317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).