1-(5-bromo-4-methylthiophen-2-yl)-N-methylpropan-1-amine

C9H14BrNS — CID 79991964

IUPAC1-(5-bromo-4-methylthiophen-2-yl)-N-methylpropan-1-amine
SMILESCCC(NC)c1cc(C)c(Br)s1
InChIInChI=1S/C9H14BrNS/c1-4-7(11-3)8-5-6(2)9(10)12-8/h5,7,11H,4H2,1-3H3
InChIKeyCUIGWYXZXTVFDM-UHFFFAOYSA-N
MW248.19 g/mol
LogP3.49
Rot. Bonds3

About 1-(5-bromo-4-methylthiophen-2-yl)-N-methylpropan-1-amine

1-(5-bromo-4-methylthiophen-2-yl)-N-methylpropan-1-amine (PubChem CID 79991964) has the molecular formula C9H14BrNS and a molecular weight of 248.19 g/mol. Its IUPAC name is 1-(5-bromo-4-methylthiophen-2-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-4-methylthiophen-2-yl)-N-methylpropan-1-amine
PubChem CID79991964
Molecular FormulaC9H14BrNS
Molecular Weight248.19 g/mol
Exact Mass247.00
IUPAC Name1-(5-bromo-4-methylthiophen-2-yl)-N-methylpropan-1-amine
SMILESCCC(NC)c1cc(C)c(Br)s1
InChIInChI=1S/C9H14BrNS/c1-4-7(11-3)8-5-6(2)9(10)12-8/h5,7,11H,4H2,1-3H3
InChIKeyCUIGWYXZXTVFDM-UHFFFAOYSA-N
XLogP3.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.19
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(5-bromo-4-methylthiophen-2-yl)propyl]hydroxylamine
CID 130143336
1-(5-bromo-4-methylthiophen-2-yl)-N-methyloctan-1-amine
CID 79991435
1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-2-methylsulfonylethanamine
CID 79992082
1-(5-bromo-4-methylthiophen-2-yl)-4-ethylsulfonyl-N-methylbutan-1-amine
CID 115865174
1-(5-bromo-4-methylthiophen-2-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)-N-methylethanamine
CID 105002532
1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 104991693
1-(5-bromo-4-methylthiophen-2-yl)-N-propylbutan-1-amine
CID 79991988
1-(5-bromo-4-methylthiophen-2-yl)-3-methyl-N-propylpentan-1-amine
CID 114874529
1-(5-bromo-4-methylthiophen-2-yl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine
CID 105036072
2-(4-bromo-2-fluorophenyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylethanamine
CID 115844430
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylethanamine
CID 105000198
1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-2-(4-iodophenyl)ethanamine
CID 115863981

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)-N-methylpropan-1-amine?
The IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)-N-methylpropan-1-amine (CID 79991964) is 1-(5-bromo-4-methylthiophen-2-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 1-(5-bromo-4-methylthiophen-2-yl)-N-methylpropan-1-amine?
The canonical SMILES for 1-(5-bromo-4-methylthiophen-2-yl)-N-methylpropan-1-amine is CCC(NC)c1cc(C)c(Br)s1.
What is the InChIKey of 1-(5-bromo-4-methylthiophen-2-yl)-N-methylpropan-1-amine?
The InChIKey is CUIGWYXZXTVFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrNS/c1-4-7(11-3)8-5-6(2)9(10)12-8/h5,7,11H,4H2,1-3H3.
What are the key properties of 1-(5-bromo-4-methylthiophen-2-yl)-N-methylpropan-1-amine?
1-(5-bromo-4-methylthiophen-2-yl)-N-methylpropan-1-amine has a molecular weight of 248.19 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-methylthiophen-2-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 79991964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).