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

C8H12BrNS — CID 62602112

IUPAC1-(5-bromothiophen-2-yl)-N-methylpropan-2-amine
SMILESCNC(C)Cc1ccc(Br)s1
InChIInChI=1S/C8H12BrNS/c1-6(10-2)5-7-3-4-8(9)11-7/h3-4,6,10H,5H2,1-2H3
InChIKeyQWHRPBHGLRQZBN-UHFFFAOYSA-N
MW234.16 g/mol
LogP2.66
Rot. Bonds3

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

1-(5-bromothiophen-2-yl)-N-methylpropan-2-amine (PubChem CID 62602112) has the molecular formula C8H12BrNS and a molecular weight of 234.16 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-N-methylpropan-2-amine
PubChem CID62602112
Molecular FormulaC8H12BrNS
Molecular Weight234.16 g/mol
Exact Mass232.99
IUPAC Name1-(5-bromothiophen-2-yl)-N-methylpropan-2-amine
SMILESCNC(C)Cc1ccc(Br)s1
InChIInChI=1S/C8H12BrNS/c1-6(10-2)5-7-3-4-8(9)11-7/h3-4,6,10H,5H2,1-2H3
InChIKeyQWHRPBHGLRQZBN-UHFFFAOYSA-N
XLogP2.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.16
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(5-bromothiophen-2-yl)propan-2-yl]cyclopropanamine
CID 82484308
3-(5-bromothiophen-2-yl)-1,1-difluoro-N-methylpropan-2-amine
CID 103516504
1-(5-bromothiophen-2-yl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine
CID 65132170
1-[2-(5-bromothiophen-2-yl)-1,3-thiazol-5-yl]-N-methylpropan-2-amine
CID 115091295
2-bromo-5-(3-chloro-2-methylpropyl)thiophene
CID 66036533
2-(5-bromothiophen-2-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65423025
1-(5-bromothiophen-2-yl)-N-methylpent-4-en-2-amine
CID 116660483
1-(5-bromothiophen-2-yl)-4,4,4-trifluoro-N-methyl-3-(trifluoromethyl)butan-2-amine
CID 103311834
1-(4-bromophenyl)-3-(5-bromothiophen-2-yl)-N-methylpropan-2-amine
CID 62602232
4-(5-bromothiophen-2-yl)-3-methylbutan-2-one
CID 60997090
5-(5-bromothiophen-2-yl)-4-methyl-N-propylpentan-2-amine
CID 64720991
2-(5-bromothiophen-2-yl)-N-methyl-1-(2-methylcyclopropyl)ethanamine
CID 65419540

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-N-methylpropan-2-amine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-N-methylpropan-2-amine (CID 62602112) is 1-(5-bromothiophen-2-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-N-methylpropan-2-amine is CNC(C)Cc1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-N-methylpropan-2-amine?
The InChIKey is QWHRPBHGLRQZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrNS/c1-6(10-2)5-7-3-4-8(9)11-7/h3-4,6,10H,5H2,1-2H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-N-methylpropan-2-amine?
1-(5-bromothiophen-2-yl)-N-methylpropan-2-amine has a molecular weight of 234.16 g/mol, XLogP of 2.66, 3 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)-N-methylpropan-2-amine is sourced from PubChem (CID 62602112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).