1-(7-bromo-1-benzofuran-2-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine

C16H16BrNOS — CID 105147976

IUPAC1-(7-bromo-1-benzofuran-2-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine
SMILESCNC(CCc1ccsc1)c1cc2cccc(Br)c2o1
InChIInChI=1S/C16H16BrNOS/c1-18-14(6-5-11-7-8-20-10-11)15-9-12-3-2-4-13(17)16(12)19-15/h2-4,7-10,14,18H,5-6H2,1H3
InChIKeyNYKADXUIQZUDEG-UHFFFAOYSA-N
MW350.28 g/mol
LogP5.15
Rot. Bonds5

About 1-(7-bromo-1-benzofuran-2-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine

1-(7-bromo-1-benzofuran-2-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine (PubChem CID 105147976) has the molecular formula C16H16BrNOS and a molecular weight of 350.28 g/mol. Its IUPAC name is 1-(7-bromo-1-benzofuran-2-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine.

Molecular Properties

Compound Name1-(7-bromo-1-benzofuran-2-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine
PubChem CID105147976
Molecular FormulaC16H16BrNOS
Molecular Weight350.28 g/mol
Exact Mass349.01
IUPAC Name1-(7-bromo-1-benzofuran-2-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine
SMILESCNC(CCc1ccsc1)c1cc2cccc(Br)c2o1
InChIInChI=1S/C16H16BrNOS/c1-18-14(6-5-11-7-8-20-10-11)15-9-12-3-2-4-13(17)16(12)19-15/h2-4,7-10,14,18H,5-6H2,1H3
InChIKeyNYKADXUIQZUDEG-UHFFFAOYSA-N
XLogP5.15
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.28
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-bromo-1-benzofuran-2-yl)-3-thiophen-3-ylpropan-1-ol
CID 105097833
1-(7-bromo-1-benzofuran-2-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 105150403
1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-thiophen-3-ylethanamine
CID 105137627
1-(7-bromo-1-benzofuran-2-yl)-N-methylbutan-1-amine
CID 65438862
1-(7-bromo-1-benzofuran-2-yl)-N-methylbut-3-en-1-amine
CID 105108656
1-(7-bromo-1-benzofuran-2-yl)-2-(furan-3-yl)-N-methylethanamine
CID 105177810
1-(4-bromo-3,5-dimethylphenyl)-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 114330528
1-(7-bromo-1-benzofuran-2-yl)-2-cyclobutyl-N-methylethanamine
CID 105151800
1-(2-bromo-4-chlorophenyl)-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 107993221
1-(7-bromo-1-benzofuran-2-yl)-2-cyclopentyl-N-methylethanamine
CID 105139091
1-(3,5-dibromo-2-pyridinyl)-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 113398628
N-methyl-1-(7-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-amine
CID 105185489

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-1-benzofuran-2-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine?
The IUPAC name of 1-(7-bromo-1-benzofuran-2-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine (CID 105147976) is 1-(7-bromo-1-benzofuran-2-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine.
What is the SMILES notation for 1-(7-bromo-1-benzofuran-2-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine?
The canonical SMILES for 1-(7-bromo-1-benzofuran-2-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine is CNC(CCc1ccsc1)c1cc2cccc(Br)c2o1.
What is the InChIKey of 1-(7-bromo-1-benzofuran-2-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine?
The InChIKey is NYKADXUIQZUDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNOS/c1-18-14(6-5-11-7-8-20-10-11)15-9-12-3-2-4-13(17)16(12)19-15/h2-4,7-10,14,18H,5-6H2,1H3.
What are the key properties of 1-(7-bromo-1-benzofuran-2-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine?
1-(7-bromo-1-benzofuran-2-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine has a molecular weight of 350.28 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-1-benzofuran-2-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine is sourced from PubChem (CID 105147976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).