2-bromo-N-[1-(5-bromofuran-2-yl)ethyl]aniline

C12H11Br2NO — CID 104652074

IUPAC2-bromo-N-[1-(5-bromofuran-2-yl)ethyl]aniline
SMILESCC(Nc1ccccc1Br)c1ccc(Br)o1
InChIInChI=1S/C12H11Br2NO/c1-8(11-6-7-12(14)16-11)15-10-5-3-2-4-9(10)13/h2-8,15H,1H3
InChIKeyYXKAIVWFIUNEPR-UHFFFAOYSA-N
MW345.03 g/mol
LogP4.98
Rot. Bonds3

About 2-bromo-N-[1-(5-bromofuran-2-yl)ethyl]aniline

2-bromo-N-[1-(5-bromofuran-2-yl)ethyl]aniline (PubChem CID 104652074) has the molecular formula C12H11Br2NO and a molecular weight of 345.03 g/mol. Its IUPAC name is 2-bromo-N-[1-(5-bromofuran-2-yl)ethyl]aniline.

Molecular Properties

Compound Name2-bromo-N-[1-(5-bromofuran-2-yl)ethyl]aniline
PubChem CID104652074
Molecular FormulaC12H11Br2NO
Molecular Weight345.03 g/mol
Exact Mass342.92
IUPAC Name2-bromo-N-[1-(5-bromofuran-2-yl)ethyl]aniline
SMILESCC(Nc1ccccc1Br)c1ccc(Br)o1
InChIInChI=1S/C12H11Br2NO/c1-8(11-6-7-12(14)16-11)15-10-5-3-2-4-9(10)13/h2-8,15H,1H3
InChIKeyYXKAIVWFIUNEPR-UHFFFAOYSA-N
XLogP4.98
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.03
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(5-bromofuran-2-yl)ethyl]-2-(difluoromethylsulfanyl)aniline
CID 104652024
2-bromo-N-[1-(5-bromofuran-2-yl)ethyl]-4-fluoroaniline
CID 104652219
N-[1-(5-bromofuran-2-yl)ethyl]-3-chloro-2-methylaniline
CID 113437440
N-[1-(5-bromofuran-2-yl)ethyl]-2-pyrrolidin-1-ylaniline
CID 104652371
4-bromo-N-[1-(5-bromofuran-2-yl)ethyl]-2,3-dichloroaniline
CID 114001608
N-[1-(5-bromofuran-2-yl)ethyl]-2-(2-methoxyethyl)aniline
CID 102903779
N-[1-(5-bromofuran-2-yl)ethyl]-2-propoxyaniline
CID 104652355
N-[1-(5-bromofuran-2-yl)ethyl]-2-pyrazol-1-ylaniline
CID 104652461
2-bromo-N-[1-(2-bromophenyl)ethyl]aniline
CID 43103209
N-[1-(5-bromofuran-2-yl)ethyl]-2-(2,2,2-trifluoroethoxy)aniline
CID 104652406
2-[1-(5-bromofuran-2-yl)ethylamino]-6-methylbenzonitrile
CID 107803391
2-bromo-N-[(1S)-1-phenylethyl]aniline;hydrochloride
CID 172882995

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(5-bromofuran-2-yl)ethyl]aniline?
The IUPAC name of 2-bromo-N-[1-(5-bromofuran-2-yl)ethyl]aniline (CID 104652074) is 2-bromo-N-[1-(5-bromofuran-2-yl)ethyl]aniline.
What is the SMILES notation for 2-bromo-N-[1-(5-bromofuran-2-yl)ethyl]aniline?
The canonical SMILES for 2-bromo-N-[1-(5-bromofuran-2-yl)ethyl]aniline is CC(Nc1ccccc1Br)c1ccc(Br)o1.
What is the InChIKey of 2-bromo-N-[1-(5-bromofuran-2-yl)ethyl]aniline?
The InChIKey is YXKAIVWFIUNEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2NO/c1-8(11-6-7-12(14)16-11)15-10-5-3-2-4-9(10)13/h2-8,15H,1H3.
What are the key properties of 2-bromo-N-[1-(5-bromofuran-2-yl)ethyl]aniline?
2-bromo-N-[1-(5-bromofuran-2-yl)ethyl]aniline has a molecular weight of 345.03 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(5-bromofuran-2-yl)ethyl]aniline is sourced from PubChem (CID 104652074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).