4-[(3-bromofuran-2-yl)methylamino]-2-methylphenol

C12H12BrNO2 — CID 106885444

IUPAC4-[(3-bromofuran-2-yl)methylamino]-2-methylphenol
SMILESCc1cc(NCc2occc2Br)ccc1O
InChIInChI=1S/C12H12BrNO2/c1-8-6-9(2-3-11(8)15)14-7-12-10(13)4-5-16-12/h2-6,14-15H,7H2,1H3
InChIKeyOKNSEBABIMTBKN-UHFFFAOYSA-N
MW282.14 g/mol
LogP3.67
Rot. Bonds3

About 4-[(3-bromofuran-2-yl)methylamino]-2-methylphenol

4-[(3-bromofuran-2-yl)methylamino]-2-methylphenol (PubChem CID 106885444) has the molecular formula C12H12BrNO2 and a molecular weight of 282.14 g/mol. Its IUPAC name is 4-[(3-bromofuran-2-yl)methylamino]-2-methylphenol.

Molecular Properties

Compound Name4-[(3-bromofuran-2-yl)methylamino]-2-methylphenol
PubChem CID106885444
Molecular FormulaC12H12BrNO2
Molecular Weight282.14 g/mol
Exact Mass281.01
IUPAC Name4-[(3-bromofuran-2-yl)methylamino]-2-methylphenol
SMILESCc1cc(NCc2occc2Br)ccc1O
InChIInChI=1S/C12H12BrNO2/c1-8-6-9(2-3-11(8)15)14-7-12-10(13)4-5-16-12/h2-6,14-15H,7H2,1H3
InChIKeyOKNSEBABIMTBKN-UHFFFAOYSA-N
XLogP3.67
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(3-bromofuran-2-yl)methylamino]phenol
CID 102809769
N-[(3-bromofuran-2-yl)methyl]-3-pyrrol-1-ylaniline
CID 106885238
N-[(3-bromofuran-2-yl)methyl]-4-methylsulfanylaniline
CID 103817834
N-[(3-bromofuran-2-yl)methyl]-4-chloro-3-fluoroaniline
CID 106885213
2-[4-[(3-bromofuran-2-yl)methylamino]phenyl]ethanol
CID 113253732
N-[(3-bromofuran-2-yl)methyl]-2,5-dimethylaniline
CID 103818073
N-[(3-bromofuran-2-yl)methyl]-4-ethoxy-3-fluoroaniline
CID 113268194
N-[(3-bromofuran-2-yl)methyl]-3-ethoxyaniline
CID 103817901
N-[(3-bromofuran-2-yl)methyl]-6-fluoropyridin-3-amine
CID 103946824
2-bromo-4-[(4-bromo-3-methylanilino)methyl]phenol
CID 60962378
N-[(3-bromofuran-2-yl)methyl]-4-chloro-3-nitroaniline
CID 106885206
N-[(3-bromofuran-2-yl)methyl]-3-(trifluoromethyl)aniline
CID 106885045

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromofuran-2-yl)methylamino]-2-methylphenol?
The IUPAC name of 4-[(3-bromofuran-2-yl)methylamino]-2-methylphenol (CID 106885444) is 4-[(3-bromofuran-2-yl)methylamino]-2-methylphenol.
What is the SMILES notation for 4-[(3-bromofuran-2-yl)methylamino]-2-methylphenol?
The canonical SMILES for 4-[(3-bromofuran-2-yl)methylamino]-2-methylphenol is Cc1cc(NCc2occc2Br)ccc1O.
What is the InChIKey of 4-[(3-bromofuran-2-yl)methylamino]-2-methylphenol?
The InChIKey is OKNSEBABIMTBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO2/c1-8-6-9(2-3-11(8)15)14-7-12-10(13)4-5-16-12/h2-6,14-15H,7H2,1H3.
What are the key properties of 4-[(3-bromofuran-2-yl)methylamino]-2-methylphenol?
4-[(3-bromofuran-2-yl)methylamino]-2-methylphenol has a molecular weight of 282.14 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromofuran-2-yl)methylamino]-2-methylphenol is sourced from PubChem (CID 106885444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).