1-(2,5-dibromothiophen-3-yl)-2-methyl-N-propylpropan-1-amine

C11H17Br2NS — CID 43497851

IUPAC1-(2,5-dibromothiophen-3-yl)-2-methyl-N-propylpropan-1-amine
SMILESCCCNC(c1cc(Br)sc1Br)C(C)C
InChIInChI=1S/C11H17Br2NS/c1-4-5-14-10(7(2)3)8-6-9(12)15-11(8)13/h6-7,10,14H,4-5H2,1-3H3
InChIKeyIXHVJEHXXMBHTF-UHFFFAOYSA-N
MW355.14 g/mol
LogP4.97
Rot. Bonds5

About 1-(2,5-dibromothiophen-3-yl)-2-methyl-N-propylpropan-1-amine

1-(2,5-dibromothiophen-3-yl)-2-methyl-N-propylpropan-1-amine (PubChem CID 43497851) has the molecular formula C11H17Br2NS and a molecular weight of 355.14 g/mol. Its IUPAC name is 1-(2,5-dibromothiophen-3-yl)-2-methyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(2,5-dibromothiophen-3-yl)-2-methyl-N-propylpropan-1-amine
PubChem CID43497851
Molecular FormulaC11H17Br2NS
Molecular Weight355.14 g/mol
Exact Mass352.94
IUPAC Name1-(2,5-dibromothiophen-3-yl)-2-methyl-N-propylpropan-1-amine
SMILESCCCNC(c1cc(Br)sc1Br)C(C)C
InChIInChI=1S/C11H17Br2NS/c1-4-5-14-10(7(2)3)8-6-9(12)15-11(8)13/h6-7,10,14H,4-5H2,1-3H3
InChIKeyIXHVJEHXXMBHTF-UHFFFAOYSA-N
XLogP4.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.14
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dibromothiophen-3-yl)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine
CID 103309620
1-(2,5-dibromothiophen-3-yl)-2-phenyl-N-propylbutan-1-amine
CID 43497928
N-[(2,5-dibromothiophen-3-yl)-(furan-2-yl)methyl]propan-1-amine
CID 43497829
N-[(2,5-dibromothiophen-3-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 63504406
N-[(2,5-dibromothiophen-3-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 43497839
N-[(2,5-dibromothiophen-3-yl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 107961210
N-[1-(2,5-dibromothiophen-3-yl)-2-phenylethyl]propan-1-amine
CID 43497935
N-[(2,5-dibromothiophen-3-yl)-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 114021743
N-[(2,5-dibromothiophen-3-yl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine
CID 65152977
N-[1-(2,5-dibromothiophen-3-yl)-2-(3,5-difluorophenyl)ethyl]propan-1-amine
CID 107969351
N-[(2,5-dibromothiophen-3-yl)-(4-methoxyphenyl)methyl]propan-1-amine
CID 43497910
N-[1-(2,5-dibromothiophen-3-yl)-2-(4-fluorophenyl)ethyl]propan-1-amine
CID 43497902

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-methyl-N-propylpropan-1-amine?
The IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-methyl-N-propylpropan-1-amine (CID 43497851) is 1-(2,5-dibromothiophen-3-yl)-2-methyl-N-propylpropan-1-amine.
What is the SMILES notation for 1-(2,5-dibromothiophen-3-yl)-2-methyl-N-propylpropan-1-amine?
The canonical SMILES for 1-(2,5-dibromothiophen-3-yl)-2-methyl-N-propylpropan-1-amine is CCCNC(c1cc(Br)sc1Br)C(C)C.
What is the InChIKey of 1-(2,5-dibromothiophen-3-yl)-2-methyl-N-propylpropan-1-amine?
The InChIKey is IXHVJEHXXMBHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17Br2NS/c1-4-5-14-10(7(2)3)8-6-9(12)15-11(8)13/h6-7,10,14H,4-5H2,1-3H3.
What are the key properties of 1-(2,5-dibromothiophen-3-yl)-2-methyl-N-propylpropan-1-amine?
1-(2,5-dibromothiophen-3-yl)-2-methyl-N-propylpropan-1-amine has a molecular weight of 355.14 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromothiophen-3-yl)-2-methyl-N-propylpropan-1-amine is sourced from PubChem (CID 43497851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).