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

C8H11Br2NS — CID 107961478

IUPACN-[(2,5-dibromothiophen-3-yl)methyl]propan-2-amine
SMILESCC(C)NCc1cc(Br)sc1Br
InChIInChI=1S/C8H11Br2NS/c1-5(2)11-4-6-3-7(9)12-8(6)10/h3,5,11H,4H2,1-2H3
InChIKeySYSCCGAKMWTPNV-UHFFFAOYSA-N
MW313.06 g/mol
LogP3.77
Rot. Bonds3

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

N-[(2,5-dibromothiophen-3-yl)methyl]propan-2-amine (PubChem CID 107961478) has the molecular formula C8H11Br2NS and a molecular weight of 313.06 g/mol. Its IUPAC name is N-[(2,5-dibromothiophen-3-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2,5-dibromothiophen-3-yl)methyl]propan-2-amine
PubChem CID107961478
Molecular FormulaC8H11Br2NS
Molecular Weight313.06 g/mol
Exact Mass310.90
IUPAC NameN-[(2,5-dibromothiophen-3-yl)methyl]propan-2-amine
SMILESCC(C)NCc1cc(Br)sc1Br
InChIInChI=1S/C8H11Br2NS/c1-5(2)11-4-6-3-7(9)12-8(6)10/h3,5,11H,4H2,1-2H3
InChIKeySYSCCGAKMWTPNV-UHFFFAOYSA-N
XLogP3.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.06
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dibromothiophen-3-yl)methyl]propan-2-amine?
The IUPAC name of N-[(2,5-dibromothiophen-3-yl)methyl]propan-2-amine (CID 107961478) is N-[(2,5-dibromothiophen-3-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(2,5-dibromothiophen-3-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(2,5-dibromothiophen-3-yl)methyl]propan-2-amine is CC(C)NCc1cc(Br)sc1Br.
What is the InChIKey of N-[(2,5-dibromothiophen-3-yl)methyl]propan-2-amine?
The InChIKey is SYSCCGAKMWTPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Br2NS/c1-5(2)11-4-6-3-7(9)12-8(6)10/h3,5,11H,4H2,1-2H3.
What are the key properties of N-[(2,5-dibromothiophen-3-yl)methyl]propan-2-amine?
N-[(2,5-dibromothiophen-3-yl)methyl]propan-2-amine has a molecular weight of 313.06 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dibromothiophen-3-yl)methyl]propan-2-amine is sourced from PubChem (CID 107961478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).