1-(3-bromo-5-methylthiophen-2-yl)-2-methylpropan-2-amine

C9H14BrNS — CID 84803552

IUPAC1-(3-bromo-5-methylthiophen-2-yl)-2-methylpropan-2-amine
SMILESCc1cc(Br)c(CC(C)(C)N)s1
InChIInChI=1S/C9H14BrNS/c1-6-4-7(10)8(12-6)5-9(2,3)11/h4H,5,11H2,1-3H3
InChIKeyAKYNKUSMYWXBFZ-UHFFFAOYSA-N
MW248.19 g/mol
LogP3.10
Rot. Bonds2

About 1-(3-bromo-5-methylthiophen-2-yl)-2-methylpropan-2-amine

1-(3-bromo-5-methylthiophen-2-yl)-2-methylpropan-2-amine (PubChem CID 84803552) has the molecular formula C9H14BrNS and a molecular weight of 248.19 g/mol. Its IUPAC name is 1-(3-bromo-5-methylthiophen-2-yl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-5-methylthiophen-2-yl)-2-methylpropan-2-amine
PubChem CID84803552
Molecular FormulaC9H14BrNS
Molecular Weight248.19 g/mol
Exact Mass247.00
IUPAC Name1-(3-bromo-5-methylthiophen-2-yl)-2-methylpropan-2-amine
SMILESCc1cc(Br)c(CC(C)(C)N)s1
InChIInChI=1S/C9H14BrNS/c1-6-4-7(10)8(12-6)5-9(2,3)11/h4H,5,11H2,1-3H3
InChIKeyAKYNKUSMYWXBFZ-UHFFFAOYSA-N
XLogP3.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.19
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methylthiophen-2-yl)-2-methylpropan-2-amine?
The IUPAC name of 1-(3-bromo-5-methylthiophen-2-yl)-2-methylpropan-2-amine (CID 84803552) is 1-(3-bromo-5-methylthiophen-2-yl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(3-bromo-5-methylthiophen-2-yl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(3-bromo-5-methylthiophen-2-yl)-2-methylpropan-2-amine is Cc1cc(Br)c(CC(C)(C)N)s1.
What is the InChIKey of 1-(3-bromo-5-methylthiophen-2-yl)-2-methylpropan-2-amine?
The InChIKey is AKYNKUSMYWXBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrNS/c1-6-4-7(10)8(12-6)5-9(2,3)11/h4H,5,11H2,1-3H3.
What are the key properties of 1-(3-bromo-5-methylthiophen-2-yl)-2-methylpropan-2-amine?
1-(3-bromo-5-methylthiophen-2-yl)-2-methylpropan-2-amine has a molecular weight of 248.19 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-methylthiophen-2-yl)-2-methylpropan-2-amine is sourced from PubChem (CID 84803552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).