3-bromo-4-(furan-2-ylmethoxymethyl)aniline

C12H12BrNO2 — CID 60792139

IUPAC3-bromo-4-(furan-2-ylmethoxymethyl)aniline
SMILESNc1ccc(COCc2ccco2)c(Br)c1
InChIInChI=1S/C12H12BrNO2/c13-12-6-10(14)4-3-9(12)7-15-8-11-2-1-5-16-11/h1-6H,7-8,14H2
InChIKeyCIXGACGEJDAXNC-UHFFFAOYSA-N
MW282.14 g/mol
LogP3.34
Rot. Bonds4

About 3-bromo-4-(furan-2-ylmethoxymethyl)aniline

3-bromo-4-(furan-2-ylmethoxymethyl)aniline (PubChem CID 60792139) has the molecular formula C12H12BrNO2 and a molecular weight of 282.14 g/mol. Its IUPAC name is 3-bromo-4-(furan-2-ylmethoxymethyl)aniline.

Molecular Properties

Compound Name3-bromo-4-(furan-2-ylmethoxymethyl)aniline
PubChem CID60792139
Molecular FormulaC12H12BrNO2
Molecular Weight282.14 g/mol
Exact Mass281.01
IUPAC Name3-bromo-4-(furan-2-ylmethoxymethyl)aniline
SMILESNc1ccc(COCc2ccco2)c(Br)c1
InChIInChI=1S/C12H12BrNO2/c13-12-6-10(14)4-3-9(12)7-15-8-11-2-1-5-16-11/h1-6H,7-8,14H2
InChIKeyCIXGACGEJDAXNC-UHFFFAOYSA-N
XLogP3.34
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[[3-bromo-4-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 102772323
3-(furan-2-ylmethoxymethyl)-2-methylaniline
CID 43509271
2-[(2-fluorophenyl)methoxymethyl]furan
CID 70570025
2-[2-[2-[2-[2-(furan-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]furan
CID 102488556
3-bromo-4-(oxan-4-yloxymethyl)aniline
CID 61286957
2-(fluoromethoxymethyl)furan
CID 143116843
3-chloro-4-(furan-2-ylmethoxymethyl)benzenecarboximidamide
CID 102668088
4-amino-2-bromo-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 43526690
2-(furan-2-ylmethoxymethyl)furan;propane-1,2,3-triol
CID 174940429
5-bromo-2-(furan-2-ylmethoxy)pyridin-3-amine
CID 61227703
furan-2-ylmethoxy-[[[furan-2-ylmethoxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane
CID 70907109
2-[3-(furan-2-ylmethoxy)propoxy]aniline
CID 43174360

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(furan-2-ylmethoxymethyl)aniline?
The IUPAC name of 3-bromo-4-(furan-2-ylmethoxymethyl)aniline (CID 60792139) is 3-bromo-4-(furan-2-ylmethoxymethyl)aniline.
What is the SMILES notation for 3-bromo-4-(furan-2-ylmethoxymethyl)aniline?
The canonical SMILES for 3-bromo-4-(furan-2-ylmethoxymethyl)aniline is Nc1ccc(COCc2ccco2)c(Br)c1.
What is the InChIKey of 3-bromo-4-(furan-2-ylmethoxymethyl)aniline?
The InChIKey is CIXGACGEJDAXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO2/c13-12-6-10(14)4-3-9(12)7-15-8-11-2-1-5-16-11/h1-6H,7-8,14H2.
What are the key properties of 3-bromo-4-(furan-2-ylmethoxymethyl)aniline?
3-bromo-4-(furan-2-ylmethoxymethyl)aniline has a molecular weight of 282.14 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(furan-2-ylmethoxymethyl)aniline is sourced from PubChem (CID 60792139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).