1-(3,5-dibromo-2-pyridinyl)-N-methyl-3-thiophen-3-ylpropan-1-amine

C13H14Br2N2S — CID 113398628

IUPAC1-(3,5-dibromo-2-pyridinyl)-N-methyl-3-thiophen-3-ylpropan-1-amine
SMILESCNC(CCc1ccsc1)c1ncc(Br)cc1Br
InChIInChI=1S/C13H14Br2N2S/c1-16-12(3-2-9-4-5-18-8-9)13-11(15)6-10(14)7-17-13/h4-8,12,16H,2-3H2,1H3
InChIKeyCLTAWQVXYBRDJB-UHFFFAOYSA-N
MW390.14 g/mol
LogP4.56
Rot. Bonds5

About 1-(3,5-dibromo-2-pyridinyl)-N-methyl-3-thiophen-3-ylpropan-1-amine

1-(3,5-dibromo-2-pyridinyl)-N-methyl-3-thiophen-3-ylpropan-1-amine (PubChem CID 113398628) has the molecular formula C13H14Br2N2S and a molecular weight of 390.14 g/mol. Its IUPAC name is 1-(3,5-dibromo-2-pyridinyl)-N-methyl-3-thiophen-3-ylpropan-1-amine.

Molecular Properties

Compound Name1-(3,5-dibromo-2-pyridinyl)-N-methyl-3-thiophen-3-ylpropan-1-amine
PubChem CID113398628
Molecular FormulaC13H14Br2N2S
Molecular Weight390.14 g/mol
Exact Mass387.92
IUPAC Name1-(3,5-dibromo-2-pyridinyl)-N-methyl-3-thiophen-3-ylpropan-1-amine
SMILESCNC(CCc1ccsc1)c1ncc(Br)cc1Br
InChIInChI=1S/C13H14Br2N2S/c1-16-12(3-2-9-4-5-18-8-9)13-11(15)6-10(14)7-17-13/h4-8,12,16H,2-3H2,1H3
InChIKeyCLTAWQVXYBRDJB-UHFFFAOYSA-N
XLogP4.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.14
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-3,5-dimethylphenyl)-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 114330528
1-(2-bromo-4-chlorophenyl)-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 107993221
N-methyl-1-(thiadiazol-5-yl)-3-thiophen-3-ylpropan-1-amine
CID 105147974
N-methyl-1-thieno[3,2-b]pyridin-6-yl-3-thiophen-3-ylpropan-1-amine
CID 81143798
N-[(3,5-dibromo-2-pyridinyl)methyl]-2-thiophen-3-ylethanamine
CID 113393694
1-(7-bromo-1-benzofuran-2-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 105147976
1-(3,5-dibromo-2-pyridinyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 113398626
1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 115856930
1-(3-ethyl-6-methylpyridazin-4-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 105147937
1-cyclopropyl-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 63354899
1-(3-bromothiophen-2-yl)-N-ethyl-3-thiophen-3-ylpropan-1-amine
CID 115857053
1-(5-bromo-2-chlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine
CID 115857164

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dibromo-2-pyridinyl)-N-methyl-3-thiophen-3-ylpropan-1-amine?
The IUPAC name of 1-(3,5-dibromo-2-pyridinyl)-N-methyl-3-thiophen-3-ylpropan-1-amine (CID 113398628) is 1-(3,5-dibromo-2-pyridinyl)-N-methyl-3-thiophen-3-ylpropan-1-amine.
What is the SMILES notation for 1-(3,5-dibromo-2-pyridinyl)-N-methyl-3-thiophen-3-ylpropan-1-amine?
The canonical SMILES for 1-(3,5-dibromo-2-pyridinyl)-N-methyl-3-thiophen-3-ylpropan-1-amine is CNC(CCc1ccsc1)c1ncc(Br)cc1Br.
What is the InChIKey of 1-(3,5-dibromo-2-pyridinyl)-N-methyl-3-thiophen-3-ylpropan-1-amine?
The InChIKey is CLTAWQVXYBRDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Br2N2S/c1-16-12(3-2-9-4-5-18-8-9)13-11(15)6-10(14)7-17-13/h4-8,12,16H,2-3H2,1H3.
What are the key properties of 1-(3,5-dibromo-2-pyridinyl)-N-methyl-3-thiophen-3-ylpropan-1-amine?
1-(3,5-dibromo-2-pyridinyl)-N-methyl-3-thiophen-3-ylpropan-1-amine has a molecular weight of 390.14 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dibromo-2-pyridinyl)-N-methyl-3-thiophen-3-ylpropan-1-amine is sourced from PubChem (CID 113398628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).