1-[5-(2,5-dibromophenyl)thiophen-2-yl]-N,2-dimethylpropan-1-amine

C15H17Br2NS — CID 63400441

IUPAC1-[5-(2,5-dibromophenyl)thiophen-2-yl]-N,2-dimethylpropan-1-amine
SMILESCNC(c1ccc(-c2cc(Br)ccc2Br)s1)C(C)C
InChIInChI=1S/C15H17Br2NS/c1-9(2)15(18-3)14-7-6-13(19-14)11-8-10(16)4-5-12(11)17/h4-9,15,18H,1-3H3
InChIKeyRXLKLURYDRNNMF-UHFFFAOYSA-N
MW403.18 g/mol
LogP5.86
Rot. Bonds4

About 1-[5-(2,5-dibromophenyl)thiophen-2-yl]-N,2-dimethylpropan-1-amine

1-[5-(2,5-dibromophenyl)thiophen-2-yl]-N,2-dimethylpropan-1-amine (PubChem CID 63400441) has the molecular formula C15H17Br2NS and a molecular weight of 403.18 g/mol. Its IUPAC name is 1-[5-(2,5-dibromophenyl)thiophen-2-yl]-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(2,5-dibromophenyl)thiophen-2-yl]-N,2-dimethylpropan-1-amine
PubChem CID63400441
Molecular FormulaC15H17Br2NS
Molecular Weight403.18 g/mol
Exact Mass400.94
IUPAC Name1-[5-(2,5-dibromophenyl)thiophen-2-yl]-N,2-dimethylpropan-1-amine
SMILESCNC(c1ccc(-c2cc(Br)ccc2Br)s1)C(C)C
InChIInChI=1S/C15H17Br2NS/c1-9(2)15(18-3)14-7-6-13(19-14)11-8-10(16)4-5-12(11)17/h4-9,15,18H,1-3H3
InChIKeyRXLKLURYDRNNMF-UHFFFAOYSA-N
XLogP5.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.18
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,5-dibromophenyl)thiophen-2-yl]-N,2-dimethylpropan-1-amine?
The IUPAC name of 1-[5-(2,5-dibromophenyl)thiophen-2-yl]-N,2-dimethylpropan-1-amine (CID 63400441) is 1-[5-(2,5-dibromophenyl)thiophen-2-yl]-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-[5-(2,5-dibromophenyl)thiophen-2-yl]-N,2-dimethylpropan-1-amine?
The canonical SMILES for 1-[5-(2,5-dibromophenyl)thiophen-2-yl]-N,2-dimethylpropan-1-amine is CNC(c1ccc(-c2cc(Br)ccc2Br)s1)C(C)C.
What is the InChIKey of 1-[5-(2,5-dibromophenyl)thiophen-2-yl]-N,2-dimethylpropan-1-amine?
The InChIKey is RXLKLURYDRNNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Br2NS/c1-9(2)15(18-3)14-7-6-13(19-14)11-8-10(16)4-5-12(11)17/h4-9,15,18H,1-3H3.
What are the key properties of 1-[5-(2,5-dibromophenyl)thiophen-2-yl]-N,2-dimethylpropan-1-amine?
1-[5-(2,5-dibromophenyl)thiophen-2-yl]-N,2-dimethylpropan-1-amine has a molecular weight of 403.18 g/mol, XLogP of 5.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,5-dibromophenyl)thiophen-2-yl]-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 63400441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).