2-bromo-6-methoxy-4-[[(5-methylfuran-2-yl)methylamino]methyl]phenol

C14H16BrNO3 — CID 62523498

IUPAC2-bromo-6-methoxy-4-[[(5-methylfuran-2-yl)methylamino]methyl]phenol
SMILESCOc1cc(CNCc2ccc(C)o2)cc(Br)c1O
InChIInChI=1S/C14H16BrNO3/c1-9-3-4-11(19-9)8-16-7-10-5-12(15)14(17)13(6-10)18-2/h3-6,16-17H,7-8H2,1-2H3
InChIKeyNUPDTCMZLVSRGG-UHFFFAOYSA-N
MW326.19 g/mol
LogP3.35
Rot. Bonds5

About 2-bromo-6-methoxy-4-[[(5-methylfuran-2-yl)methylamino]methyl]phenol

2-bromo-6-methoxy-4-[[(5-methylfuran-2-yl)methylamino]methyl]phenol (PubChem CID 62523498) has the molecular formula C14H16BrNO3 and a molecular weight of 326.19 g/mol. Its IUPAC name is 2-bromo-6-methoxy-4-[[(5-methylfuran-2-yl)methylamino]methyl]phenol.

Molecular Properties

Compound Name2-bromo-6-methoxy-4-[[(5-methylfuran-2-yl)methylamino]methyl]phenol
PubChem CID62523498
Molecular FormulaC14H16BrNO3
Molecular Weight326.19 g/mol
Exact Mass325.03
IUPAC Name2-bromo-6-methoxy-4-[[(5-methylfuran-2-yl)methylamino]methyl]phenol
SMILESCOc1cc(CNCc2ccc(C)o2)cc(Br)c1O
InChIInChI=1S/C14H16BrNO3/c1-9-3-4-11(19-9)8-16-7-10-5-12(15)14(17)13(6-10)18-2/h3-6,16-17H,7-8H2,1-2H3
InChIKeyNUPDTCMZLVSRGG-UHFFFAOYSA-N
XLogP3.35
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-methoxy-6-[[(5-methylfuran-2-yl)methylamino]methyl]phenol
CID 104663860
2-bromo-6-methoxy-4-[(thiophen-3-ylmethylamino)methyl]phenol
CID 55162656
2-bromo-6-methoxy-4-[(oxan-4-ylmethylamino)methyl]phenol
CID 63726270
2-bromo-4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-6-methoxyphenol
CID 78975030
2-bromo-4-[[(2-chlorophenyl)methylamino]methyl]-6-methoxyphenol
CID 29292955
2-bromo-6-methoxy-4-[[(2-methoxy-2-methylpropyl)amino]methyl]phenol
CID 115671303
N-[(3,5-dimethylphenyl)methyl]-1-(5-methylfuran-2-yl)methanamine
CID 55081933
1-(4-butoxy-3-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 119111120
4-[(furan-2-ylmethylamino)methyl]-2,6-dimethoxyphenol;hydrochloride
CID 24746812
2-ethoxy-4-[[(5-methylfuran-2-yl)methylamino]methyl]phenol
CID 55081400
2-bromo-6-methoxy-4-[(pent-3-ynylamino)methyl]phenol
CID 116642924
3-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]propanoic acid
CID 43139962

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methoxy-4-[[(5-methylfuran-2-yl)methylamino]methyl]phenol?
The IUPAC name of 2-bromo-6-methoxy-4-[[(5-methylfuran-2-yl)methylamino]methyl]phenol (CID 62523498) is 2-bromo-6-methoxy-4-[[(5-methylfuran-2-yl)methylamino]methyl]phenol.
What is the SMILES notation for 2-bromo-6-methoxy-4-[[(5-methylfuran-2-yl)methylamino]methyl]phenol?
The canonical SMILES for 2-bromo-6-methoxy-4-[[(5-methylfuran-2-yl)methylamino]methyl]phenol is COc1cc(CNCc2ccc(C)o2)cc(Br)c1O.
What is the InChIKey of 2-bromo-6-methoxy-4-[[(5-methylfuran-2-yl)methylamino]methyl]phenol?
The InChIKey is NUPDTCMZLVSRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO3/c1-9-3-4-11(19-9)8-16-7-10-5-12(15)14(17)13(6-10)18-2/h3-6,16-17H,7-8H2,1-2H3.
What are the key properties of 2-bromo-6-methoxy-4-[[(5-methylfuran-2-yl)methylamino]methyl]phenol?
2-bromo-6-methoxy-4-[[(5-methylfuran-2-yl)methylamino]methyl]phenol has a molecular weight of 326.19 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methoxy-4-[[(5-methylfuran-2-yl)methylamino]methyl]phenol is sourced from PubChem (CID 62523498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).