2-[[2-(furan-2-yl)ethylamino]methyl]-5-methoxyphenol

C14H17NO3 — CID 61263621

IUPAC2-[[2-(furan-2-yl)ethylamino]methyl]-5-methoxyphenol
SMILESCOc1ccc(CNCCc2ccco2)c(O)c1
InChIInChI=1S/C14H17NO3/c1-17-13-5-4-11(14(16)9-13)10-15-7-6-12-3-2-8-18-12/h2-5,8-9,15-16H,6-7,10H2,1H3
InChIKeyGTFWJTINBGNKJN-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.33
Rot. Bonds6

About 2-[[2-(furan-2-yl)ethylamino]methyl]-5-methoxyphenol

2-[[2-(furan-2-yl)ethylamino]methyl]-5-methoxyphenol (PubChem CID 61263621) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-[[2-(furan-2-yl)ethylamino]methyl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[[2-(furan-2-yl)ethylamino]methyl]-5-methoxyphenol
PubChem CID61263621
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name2-[[2-(furan-2-yl)ethylamino]methyl]-5-methoxyphenol
SMILESCOc1ccc(CNCCc2ccco2)c(O)c1
InChIInChI=1S/C14H17NO3/c1-17-13-5-4-11(14(16)9-13)10-15-7-6-12-3-2-8-18-12/h2-5,8-9,15-16H,6-7,10H2,1H3
InChIKeyGTFWJTINBGNKJN-UHFFFAOYSA-N
XLogP2.33
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(furan-2-yl)-N-[(6-methoxynaphthalen-2-yl)methyl]ethanamine
CID 43395395
2-[(2-aminoethylamino)methyl]-5-methoxyphenol
CID 61261958
2-(ethylaminomethyl)-5-methoxyphenol
CID 39257600
methyl 2-[2-[[2-(furan-2-yl)ethylamino]methyl]phenyl]acetate
CID 115461693
6-[[2-(furan-2-yl)ethylamino]methyl]-1,3-benzodioxol-5-ol
CID 55012877
2-[(4-hydroxybutylamino)methyl]-5-methoxyphenol
CID 106840604
2-[[(2-chlorophenyl)methylamino]methyl]-5-methoxyphenol
CID 61268747
5-methoxy-2-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]phenol
CID 104694486
5-methoxy-2-[(2-pyridin-3-ylethylamino)methyl]phenol
CID 61261961
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(furan-2-yl)ethanamine
CID 60695369
2-[1-[4-(furan-2-yl)butan-2-ylamino]ethyl]-5-methoxyphenol
CID 43205399
methyl 3-bromo-4-[[2-(furan-2-yl)ethylamino]methyl]benzoate
CID 102766549

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(furan-2-yl)ethylamino]methyl]-5-methoxyphenol?
The IUPAC name of 2-[[2-(furan-2-yl)ethylamino]methyl]-5-methoxyphenol (CID 61263621) is 2-[[2-(furan-2-yl)ethylamino]methyl]-5-methoxyphenol.
What is the SMILES notation for 2-[[2-(furan-2-yl)ethylamino]methyl]-5-methoxyphenol?
The canonical SMILES for 2-[[2-(furan-2-yl)ethylamino]methyl]-5-methoxyphenol is COc1ccc(CNCCc2ccco2)c(O)c1.
What is the InChIKey of 2-[[2-(furan-2-yl)ethylamino]methyl]-5-methoxyphenol?
The InChIKey is GTFWJTINBGNKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-17-13-5-4-11(14(16)9-13)10-15-7-6-12-3-2-8-18-12/h2-5,8-9,15-16H,6-7,10H2,1H3.
What are the key properties of 2-[[2-(furan-2-yl)ethylamino]methyl]-5-methoxyphenol?
2-[[2-(furan-2-yl)ethylamino]methyl]-5-methoxyphenol has a molecular weight of 247.29 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(furan-2-yl)ethylamino]methyl]-5-methoxyphenol is sourced from PubChem (CID 61263621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).