1-(5-bromofuran-2-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine

C15H15BrClNO2 — CID 105031463

IUPAC1-(5-bromofuran-2-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine
SMILESCNC(Cc1cc(Cl)cc2c1OCC2)c1ccc(Br)o1
InChIInChI=1S/C15H15BrClNO2/c1-18-12(13-2-3-14(16)20-13)8-10-7-11(17)6-9-4-5-19-15(9)10/h2-3,6-7,12,18H,4-5,8H2,1H3
InChIKeyDFDWGIHWWNVBRF-UHFFFAOYSA-N
MW356.65 g/mol
LogP4.13
Rot. Bonds4

About 1-(5-bromofuran-2-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine

1-(5-bromofuran-2-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine (PubChem CID 105031463) has the molecular formula C15H15BrClNO2 and a molecular weight of 356.65 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine
PubChem CID105031463
Molecular FormulaC15H15BrClNO2
Molecular Weight356.65 g/mol
Exact Mass355.00
IUPAC Name1-(5-bromofuran-2-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine
SMILESCNC(Cc1cc(Cl)cc2c1OCC2)c1ccc(Br)o1
InChIInChI=1S/C15H15BrClNO2/c1-18-12(13-2-3-14(16)20-13)8-10-7-11(17)6-9-4-5-19-15(9)10/h2-3,6-7,12,18H,4-5,8H2,1H3
InChIKeyDFDWGIHWWNVBRF-UHFFFAOYSA-N
XLogP4.13
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.65
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromofuran-2-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanamine
CID 105031502
1-(5-bromothiophen-3-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine
CID 105178440
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(5-chlorofuran-2-yl)-N-ethylethanamine
CID 106692957
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine
CID 104789934
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chloro-2-pyridinyl)-N-methylethanamine
CID 103444356
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(5-iodothiophen-3-yl)-N-methylethanamine
CID 105031429
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 105178376
5-chloro-7-(2-chloropropyl)-2,3-dihydro-1-benzofuran
CID 126973912
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-(2-methylphenyl)ethanamine
CID 104545460
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 105178379
1-(5-bromofuran-2-yl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine
CID 103042976
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine
CID 105031407

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine?
The IUPAC name of 1-(5-bromofuran-2-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine (CID 105031463) is 1-(5-bromofuran-2-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine.
What is the SMILES notation for 1-(5-bromofuran-2-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine?
The canonical SMILES for 1-(5-bromofuran-2-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine is CNC(Cc1cc(Cl)cc2c1OCC2)c1ccc(Br)o1.
What is the InChIKey of 1-(5-bromofuran-2-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine?
The InChIKey is DFDWGIHWWNVBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO2/c1-18-12(13-2-3-14(16)20-13)8-10-7-11(17)6-9-4-5-19-15(9)10/h2-3,6-7,12,18H,4-5,8H2,1H3.
What are the key properties of 1-(5-bromofuran-2-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine?
1-(5-bromofuran-2-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine has a molecular weight of 356.65 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromofuran-2-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine is sourced from PubChem (CID 105031463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).