N-[(5-bromo-4-methylthiophen-2-yl)methyl]ethanamine

C8H12BrNS — CID 79982113

IUPACN-[(5-bromo-4-methylthiophen-2-yl)methyl]ethanamine
SMILESCCNCc1cc(C)c(Br)s1
InChIInChI=1S/C8H12BrNS/c1-3-10-5-7-4-6(2)8(9)11-7/h4,10H,3,5H2,1-2H3
InChIKeyUXRRYMXERFPDMY-UHFFFAOYSA-N
MW234.16 g/mol
LogP2.93
Rot. Bonds3

About N-[(5-bromo-4-methylthiophen-2-yl)methyl]ethanamine

N-[(5-bromo-4-methylthiophen-2-yl)methyl]ethanamine (PubChem CID 79982113) has the molecular formula C8H12BrNS and a molecular weight of 234.16 g/mol. Its IUPAC name is N-[(5-bromo-4-methylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-bromo-4-methylthiophen-2-yl)methyl]ethanamine
PubChem CID79982113
Molecular FormulaC8H12BrNS
Molecular Weight234.16 g/mol
Exact Mass232.99
IUPAC NameN-[(5-bromo-4-methylthiophen-2-yl)methyl]ethanamine
SMILESCCNCc1cc(C)c(Br)s1
InChIInChI=1S/C8H12BrNS/c1-3-10-5-7-4-6(2)8(9)11-7/h4,10H,3,5H2,1-2H3
InChIKeyUXRRYMXERFPDMY-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[(5-bromo-4-methylthiophen-2-yl)methyl]prop-2-en-1-amine
CID 115710741
N-[(5-bromo-4-methylthiophen-2-yl)methyl]-2,2-difluoroethanamine
CID 115407076
2-[(5-bromo-4-methylthiophen-2-yl)methylamino]-N,N-dimethylacetamide
CID 115710447
N-[(5-bromo-4-methylthiophen-2-yl)methyl]-1-thiophen-2-ylmethanamine
CID 79981814
N-[(5-bromo-4-methylthiophen-2-yl)methyl]-1-(thian-4-yl)methanamine
CID 115710864
N-[(5-bromo-4-methylthiophen-2-yl)methyl]-2-methylpropan-2-amine
CID 79981229
N-[(5-bromo-4-methylthiophen-2-yl)methyl]-1-(oxolan-3-yl)methanamine
CID 115710507
(2S)-2-[(5-bromo-4-methylthiophen-2-yl)methylamino]propan-1-ol
CID 103778243
2-[(5-bromo-4-methylthiophen-2-yl)methylamino]-2-methylpentan-1-ol
CID 115710888
N-[(5-bromo-4-methylthiophen-2-yl)methyl]-2-(furan-2-yl)ethanamine
CID 115710435
N-[(5-bromo-4-methylthiophen-2-yl)methyl]-1,1-dicyclopropylmethanamine
CID 115710605
N-[(5-bromo-4-methylthiophen-2-yl)methyl]but-3-en-2-amine
CID 115711129

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-4-methylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of N-[(5-bromo-4-methylthiophen-2-yl)methyl]ethanamine (CID 79982113) is N-[(5-bromo-4-methylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-bromo-4-methylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-bromo-4-methylthiophen-2-yl)methyl]ethanamine is CCNCc1cc(C)c(Br)s1.
What is the InChIKey of N-[(5-bromo-4-methylthiophen-2-yl)methyl]ethanamine?
The InChIKey is UXRRYMXERFPDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrNS/c1-3-10-5-7-4-6(2)8(9)11-7/h4,10H,3,5H2,1-2H3.
What are the key properties of N-[(5-bromo-4-methylthiophen-2-yl)methyl]ethanamine?
N-[(5-bromo-4-methylthiophen-2-yl)methyl]ethanamine has a molecular weight of 234.16 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-4-methylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 79982113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).