2-[(furan-3-ylmethylamino)methyl]-4-methoxyphenol

C13H15NO3 — CID 115627586

IUPAC2-[(furan-3-ylmethylamino)methyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(CNCc2ccoc2)c1
InChIInChI=1S/C13H15NO3/c1-16-12-2-3-13(15)11(6-12)8-14-7-10-4-5-17-9-10/h2-6,9,14-15H,7-8H2,1H3
InChIKeyBLYIJCLCDAMRJX-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.28
Rot. Bonds5

About 2-[(furan-3-ylmethylamino)methyl]-4-methoxyphenol

2-[(furan-3-ylmethylamino)methyl]-4-methoxyphenol (PubChem CID 115627586) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-[(furan-3-ylmethylamino)methyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[(furan-3-ylmethylamino)methyl]-4-methoxyphenol
PubChem CID115627586
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name2-[(furan-3-ylmethylamino)methyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(CNCc2ccoc2)c1
InChIInChI=1S/C13H15NO3/c1-16-12-2-3-13(15)11(6-12)8-14-7-10-4-5-17-9-10/h2-6,9,14-15H,7-8H2,1H3
InChIKeyBLYIJCLCDAMRJX-UHFFFAOYSA-N
XLogP2.28
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3-(1-Furan-3-ylmethyl-3,4-dimethyl-piperidin-4-yl)-phenol
CID 10016797
N-(2-methoxybenzyl)-2-methyl-3-furamide
CID 1244119
N-[2-(2-hydroxyphenyl)ethyl]-2-methylfuran-3-carboxamide
CID 118735555
2-[(Furan-2-ylmethylamino)methyl]-6-methoxyphenol
CID 1096859
(2S)-2-[3-[[furan-3-ylmethyl(methyl)amino]methyl]phenoxy]propan-1-amine
CID 125169079
1-(furan-3-yl)-N-[(2-methoxyphenyl)methyl]methanamine
CID 871332
(2,5-Dimethoxy-benzyl)-furan-2-ylmethyl-amine
CID 1075951
Benzyl(furan-3-ylmethyl)amine
CID 18377394
Phenol, 3-[[(2-furanylmethyl)amino]methyl]-
CID 3991261
N-[[2-(difluoromethoxy)phenyl]methyl]-2-(furan-2-yl)ethanamine
CID 43395345
2-(furan-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 43395684
1-[3-(difluoromethoxy)phenyl]-N-[2-(furan-2-yl)ethyl]ethanamine
CID 43515403

Frequently Asked Questions

What is the IUPAC name of 2-[(furan-3-ylmethylamino)methyl]-4-methoxyphenol?
The IUPAC name of 2-[(furan-3-ylmethylamino)methyl]-4-methoxyphenol (CID 115627586) is 2-[(furan-3-ylmethylamino)methyl]-4-methoxyphenol.
What is the SMILES notation for 2-[(furan-3-ylmethylamino)methyl]-4-methoxyphenol?
The canonical SMILES for 2-[(furan-3-ylmethylamino)methyl]-4-methoxyphenol is COc1ccc(O)c(CNCc2ccoc2)c1.
What is the InChIKey of 2-[(furan-3-ylmethylamino)methyl]-4-methoxyphenol?
The InChIKey is BLYIJCLCDAMRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-16-12-2-3-13(15)11(6-12)8-14-7-10-4-5-17-9-10/h2-6,9,14-15H,7-8H2,1H3.
What are the key properties of 2-[(furan-3-ylmethylamino)methyl]-4-methoxyphenol?
2-[(furan-3-ylmethylamino)methyl]-4-methoxyphenol has a molecular weight of 233.27 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(furan-3-ylmethylamino)methyl]-4-methoxyphenol is sourced from PubChem (CID 115627586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).