3-bromo-N-[1-(furan-2-yl)ethyl]-5-methoxyaniline

C13H14BrNO2 — CID 82858224

IUPAC3-bromo-N-[1-(furan-2-yl)ethyl]-5-methoxyaniline
SMILESCOc1cc(Br)cc(NC(C)c2ccco2)c1
InChIInChI=1S/C13H14BrNO2/c1-9(13-4-3-5-17-13)15-11-6-10(14)7-12(8-11)16-2/h3-9,15H,1-2H3
InChIKeyHYAMYKPUGCRHIX-UHFFFAOYSA-N
MW296.16 g/mol
LogP4.22
Rot. Bonds4

About 3-bromo-N-[1-(furan-2-yl)ethyl]-5-methoxyaniline

3-bromo-N-[1-(furan-2-yl)ethyl]-5-methoxyaniline (PubChem CID 82858224) has the molecular formula C13H14BrNO2 and a molecular weight of 296.16 g/mol. Its IUPAC name is 3-bromo-N-[1-(furan-2-yl)ethyl]-5-methoxyaniline.

Molecular Properties

Compound Name3-bromo-N-[1-(furan-2-yl)ethyl]-5-methoxyaniline
PubChem CID82858224
Molecular FormulaC13H14BrNO2
Molecular Weight296.16 g/mol
Exact Mass295.02
IUPAC Name3-bromo-N-[1-(furan-2-yl)ethyl]-5-methoxyaniline
SMILESCOc1cc(Br)cc(NC(C)c2ccco2)c1
InChIInChI=1S/C13H14BrNO2/c1-9(13-4-3-5-17-13)15-11-6-10(14)7-12(8-11)16-2/h3-9,15H,1-2H3
InChIKeyHYAMYKPUGCRHIX-UHFFFAOYSA-N
XLogP4.22
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[1-(furan-2-yl)propyl]-5-methoxyaniline
CID 82858067
N-[1-(furan-2-yl)ethyl]-3-methoxyaniline
CID 43196365
3-bromo-N-[1-(4-bromophenyl)ethyl]-5-methoxyaniline
CID 82858148
4-bromo-N-[1-(furan-2-yl)ethyl]-3-methoxyaniline
CID 82857963
3-bromo-N-[1-(4-fluorophenyl)ethyl]-5-methoxyaniline
CID 82857305
3-[1-(3-bromo-5-methoxyanilino)ethyl]phenol
CID 82857287
3-bromo-5-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 82858085
4-bromo-2,6-difluoro-N-[1-(furan-2-yl)ethyl]aniline
CID 65467932
3-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-5-methoxyaniline
CID 82857288
3-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-methoxyaniline
CID 82858247
2-[1-(3-bromo-5-methoxyanilino)ethyl]-5-fluorophenol
CID 82857306
N-[1-(furan-2-yl)ethyl]-5-methoxypyridin-2-amine
CID 103932113

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-(furan-2-yl)ethyl]-5-methoxyaniline?
The IUPAC name of 3-bromo-N-[1-(furan-2-yl)ethyl]-5-methoxyaniline (CID 82858224) is 3-bromo-N-[1-(furan-2-yl)ethyl]-5-methoxyaniline.
What is the SMILES notation for 3-bromo-N-[1-(furan-2-yl)ethyl]-5-methoxyaniline?
The canonical SMILES for 3-bromo-N-[1-(furan-2-yl)ethyl]-5-methoxyaniline is COc1cc(Br)cc(NC(C)c2ccco2)c1.
What is the InChIKey of 3-bromo-N-[1-(furan-2-yl)ethyl]-5-methoxyaniline?
The InChIKey is HYAMYKPUGCRHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO2/c1-9(13-4-3-5-17-13)15-11-6-10(14)7-12(8-11)16-2/h3-9,15H,1-2H3.
What are the key properties of 3-bromo-N-[1-(furan-2-yl)ethyl]-5-methoxyaniline?
3-bromo-N-[1-(furan-2-yl)ethyl]-5-methoxyaniline has a molecular weight of 296.16 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[1-(furan-2-yl)ethyl]-5-methoxyaniline is sourced from PubChem (CID 82858224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).