N-[1-(1-benzofuran-2-yl)ethyl]-2,4-dibromoaniline

C16H13Br2NO — CID 43683127

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-2,4-dibromoaniline
SMILESCC(Nc1ccc(Br)cc1Br)c1cc2ccccc2o1
InChIInChI=1S/C16H13Br2NO/c1-10(19-14-7-6-12(17)9-13(14)18)16-8-11-4-2-3-5-15(11)20-16/h2-10,19H,1H3
InChIKeyOYTMIXVRGCBXCR-UHFFFAOYSA-N
MW395.09 g/mol
LogP6.13
Rot. Bonds3

About N-[1-(1-benzofuran-2-yl)ethyl]-2,4-dibromoaniline

N-[1-(1-benzofuran-2-yl)ethyl]-2,4-dibromoaniline (PubChem CID 43683127) has the molecular formula C16H13Br2NO and a molecular weight of 395.09 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-2,4-dibromoaniline.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-2,4-dibromoaniline
PubChem CID43683127
Molecular FormulaC16H13Br2NO
Molecular Weight395.09 g/mol
Exact Mass392.94
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-2,4-dibromoaniline
SMILESCC(Nc1ccc(Br)cc1Br)c1cc2ccccc2o1
InChIInChI=1S/C16H13Br2NO/c1-10(19-14-7-6-12(17)9-13(14)18)16-8-11-4-2-3-5-15(11)20-16/h2-10,19H,1H3
InChIKeyOYTMIXVRGCBXCR-UHFFFAOYSA-N
XLogP6.13
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.09
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-4-methylaniline
CID 43098399
N-[1-(1-benzofuran-2-yl)ethyl]-2-chloro-4-methylaniline
CID 43122562
N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylaniline
CID 43102235
[2-[1-(1-benzofuran-2-yl)ethylamino]phenyl]methanol
CID 43743209
N-[1-(1-benzofuran-2-yl)ethyl]-2-propylaniline
CID 43687342
2,4-dibromo-N-[1-(4-bromophenyl)ethyl]aniline
CID 43683094
N-(1-benzofuran-2-ylmethyl)-2,4-dibromoaniline
CID 43683009
4-[1-(1-benzofuran-2-yl)ethylamino]-3-fluorobenzonitrile
CID 78980854
N-[1-(1-benzofuran-2-yl)ethyl]-2,5-dimethoxyaniline
CID 43824329
2-[1-(1-benzofuran-2-yl)ethylamino]-N-(2-bromo-4-methylphenyl)acetamide
CID 112801581
2-[1-(1-benzofuran-2-yl)ethylamino]-5-nitrobenzonitrile
CID 46827980
N-[1-(1-benzofuran-2-yl)ethyl]-3-fluoroaniline
CID 43194276

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-2,4-dibromoaniline?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-2,4-dibromoaniline (CID 43683127) is N-[1-(1-benzofuran-2-yl)ethyl]-2,4-dibromoaniline.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-2,4-dibromoaniline?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-2,4-dibromoaniline is CC(Nc1ccc(Br)cc1Br)c1cc2ccccc2o1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-2,4-dibromoaniline?
The InChIKey is OYTMIXVRGCBXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Br2NO/c1-10(19-14-7-6-12(17)9-13(14)18)16-8-11-4-2-3-5-15(11)20-16/h2-10,19H,1H3.
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-2,4-dibromoaniline?
N-[1-(1-benzofuran-2-yl)ethyl]-2,4-dibromoaniline has a molecular weight of 395.09 g/mol, XLogP of 6.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-2,4-dibromoaniline is sourced from PubChem (CID 43683127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).