1-(4-bromothiophen-2-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropan-1-amine

C16H18BrNOS — CID 65445154

IUPAC1-(4-bromothiophen-2-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropan-1-amine
SMILESCNC(CCc1ccc2c(c1)CCO2)c1cc(Br)cs1
InChIInChI=1S/C16H18BrNOS/c1-18-14(16-9-13(17)10-20-16)4-2-11-3-5-15-12(8-11)6-7-19-15/h3,5,8-10,14,18H,2,4,6-7H2,1H3
InChIKeyPTRJLRJAJADUMW-UHFFFAOYSA-N
MW352.30 g/mol
LogP4.34
Rot. Bonds5

About 1-(4-bromothiophen-2-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropan-1-amine

1-(4-bromothiophen-2-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropan-1-amine (PubChem CID 65445154) has the molecular formula C16H18BrNOS and a molecular weight of 352.30 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropan-1-amine
PubChem CID65445154
Molecular FormulaC16H18BrNOS
Molecular Weight352.30 g/mol
Exact Mass351.03
IUPAC Name1-(4-bromothiophen-2-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropan-1-amine
SMILESCNC(CCc1ccc2c(c1)CCO2)c1cc(Br)cs1
InChIInChI=1S/C16H18BrNOS/c1-18-14(16-9-13(17)10-20-16)4-2-11-3-5-15-12(8-11)6-7-19-15/h3,5,8-10,14,18H,2,4,6-7H2,1H3
InChIKeyPTRJLRJAJADUMW-UHFFFAOYSA-N
XLogP4.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.30
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromothiophen-2-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropan-1-amine
CID 115864445
1-(5-chlorothiophen-2-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropan-1-amine
CID 115864488
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine
CID 65447213
1-(2-bromofuran-3-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropan-1-amine
CID 106857730
3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-pyrazin-2-ylpropan-1-amine
CID 65446272
3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 65444972
3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-pyridin-3-ylpropan-1-amine
CID 65445324
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(5-fluoro-2-pyridinyl)-N-methylpropan-1-amine
CID 79707540
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenylpropan-1-amine
CID 43482553
1-(2,3-dihydro-1-benzofuran-5-yl)-N,4,5-trimethylhexan-3-amine
CID 115864502
3-(2,3-dihydro-1-benzofuran-5-yl)-N-propyl-1-thiophen-3-ylpropan-1-amine
CID 65446270
1-(2,3-dihydro-1-benzofuran-5-yl)-N,5,5-trimethylhexan-3-amine
CID 65445712

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropan-1-amine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropan-1-amine (CID 65445154) is 1-(4-bromothiophen-2-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropan-1-amine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropan-1-amine is CNC(CCc1ccc2c(c1)CCO2)c1cc(Br)cs1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropan-1-amine?
The InChIKey is PTRJLRJAJADUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNOS/c1-18-14(16-9-13(17)10-20-16)4-2-11-3-5-15-12(8-11)6-7-19-15/h3,5,8-10,14,18H,2,4,6-7H2,1H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropan-1-amine?
1-(4-bromothiophen-2-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropan-1-amine has a molecular weight of 352.30 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 65445154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).