N-[(5-bromothiophen-3-yl)methyl]propan-2-amine

C8H12BrNS — CID 43431930

IUPACN-[(5-bromothiophen-3-yl)methyl]propan-2-amine
SMILESCC(C)NCc1csc(Br)c1
InChIInChI=1S/C8H12BrNS/c1-6(2)10-4-7-3-8(9)11-5-7/h3,5-6,10H,4H2,1-2H3
InChIKeyCXPCGIWDPIHDAN-UHFFFAOYSA-N
MW234.16 g/mol
LogP3.01
Rot. Bonds3

About N-[(5-bromothiophen-3-yl)methyl]propan-2-amine

N-[(5-bromothiophen-3-yl)methyl]propan-2-amine (PubChem CID 43431930) has the molecular formula C8H12BrNS and a molecular weight of 234.16 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]propan-2-amine
PubChem CID43431930
Molecular FormulaC8H12BrNS
Molecular Weight234.16 g/mol
Exact Mass232.99
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]propan-2-amine
SMILESCC(C)NCc1csc(Br)c1
InChIInChI=1S/C8H12BrNS/c1-6(2)10-4-7-3-8(9)11-5-7/h3,5-6,10H,4H2,1-2H3
InChIKeyCXPCGIWDPIHDAN-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-N-[(5-bromothiophen-3-yl)methyl]ethanamine
CID 60760516
N-[(5-bromothiophen-3-yl)methyl]-1-cyclopropyl-2-methylpropan-1-amine
CID 115709428
N-[(5-bromothiophen-3-yl)methyl]-1-phenylpropan-2-amine
CID 63010723
(2R)-2-[(5-bromothiophen-3-yl)methylamino]-N-methylpropanamide
CID 103735729
N-[(5-bromothiophen-3-yl)methyl]-4-methylsulfanylbutan-2-amine
CID 115639975
N-[(5-bromothiophen-3-yl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43432082
2-[(5-bromothiophen-3-yl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 54866261
3-[(5-bromothiophen-3-yl)methylamino]-N,N-dimethylbutanamide
CID 115709425
N-[(5-bromothiophen-3-yl)methyl]-2-methylpropanamide
CID 131134392
N-[(5-bromothiophen-3-yl)methyl]-N,3-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 80631429
N-[(5-bromothiophen-3-yl)methyl]hydroxylamine
CID 82686785
4-[3-[(5-bromothiophen-3-yl)methylamino]butyl]phenol
CID 43746723

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]propan-2-amine?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]propan-2-amine (CID 43431930) is N-[(5-bromothiophen-3-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]propan-2-amine is CC(C)NCc1csc(Br)c1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]propan-2-amine?
The InChIKey is CXPCGIWDPIHDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrNS/c1-6(2)10-4-7-3-8(9)11-5-7/h3,5-6,10H,4H2,1-2H3.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]propan-2-amine?
N-[(5-bromothiophen-3-yl)methyl]propan-2-amine has a molecular weight of 234.16 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]propan-2-amine is sourced from PubChem (CID 43431930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).