1-(3-bromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)ethanamine

C16H16BrNO — CID 114743837

IUPAC1-(3-bromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)ethanamine
SMILESCC(N)(c1cccc(Br)c1)c1cccc2c1OCC2
InChIInChI=1S/C16H16BrNO/c1-16(18,12-5-3-6-13(17)10-12)14-7-2-4-11-8-9-19-15(11)14/h2-7,10H,8-9,18H2,1H3
InChIKeyZZBUZEXXSHWVNG-UHFFFAOYSA-N
MW318.21 g/mol
LogP3.61
Rot. Bonds2

About 1-(3-bromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)ethanamine

1-(3-bromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)ethanamine (PubChem CID 114743837) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is 1-(3-bromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)ethanamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)ethanamine
PubChem CID114743837
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC Name1-(3-bromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)ethanamine
SMILESCC(N)(c1cccc(Br)c1)c1cccc2c1OCC2
InChIInChI=1S/C16H16BrNO/c1-16(18,12-5-3-6-13(17)10-12)14-7-2-4-11-8-9-19-15(11)14/h2-7,10H,8-9,18H2,1H3
InChIKeyZZBUZEXXSHWVNG-UHFFFAOYSA-N
XLogP3.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)ethanamine
CID 114743831
1-(2,3-dihydro-1-benzofuran-7-yl)-1-(4-methylphenyl)ethanamine
CID 114743817
2-(2,3-dihydro-1-benzofuran-7-yl)-1-methoxypropan-2-amine
CID 114743871
1-(3,4-dihydro-2H-chromen-8-yl)-1-(2-methylphenyl)ethanamine
CID 114743820
1-(3-bromophenyl)-1-(4-bromothiophen-3-yl)ethanamine
CID 79595826
7-(2,4,4-trimethylpentan-2-yl)-2,3-dihydro-1-benzofuran
CID 173236217
2-(2,3-dihydro-1-benzofuran-7-yl)-2-fluoro-2-phenylethanamine
CID 114747716
4-(2,3-dihydro-1-benzofuran-7-yl)-4-methylpentan-2-one
CID 114746860
2-(2,3-dihydro-1-benzofuran-7-yl)-1-(4-methoxyphenyl)propan-2-amine
CID 114743879
1-(3-bromophenyl)-1-(4-fluorophenyl)ethanamine
CID 54919280
2-(2,3-dihydro-1-benzofuran-7-yl)-4-methylpentan-2-ol
CID 114743757
1-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylethanamine
CID 104542207

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)ethanamine?
The IUPAC name of 1-(3-bromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)ethanamine (CID 114743837) is 1-(3-bromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)ethanamine.
What is the SMILES notation for 1-(3-bromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)ethanamine?
The canonical SMILES for 1-(3-bromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)ethanamine is CC(N)(c1cccc(Br)c1)c1cccc2c1OCC2.
What is the InChIKey of 1-(3-bromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)ethanamine?
The InChIKey is ZZBUZEXXSHWVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO/c1-16(18,12-5-3-6-13(17)10-12)14-7-2-4-11-8-9-19-15(11)14/h2-7,10H,8-9,18H2,1H3.
What are the key properties of 1-(3-bromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)ethanamine?
1-(3-bromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)ethanamine has a molecular weight of 318.21 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)ethanamine is sourced from PubChem (CID 114743837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).