2-ethoxy-4-[[(5-methylfuran-2-yl)methylamino]methyl]phenol

C15H19NO3 — CID 55081400

IUPAC2-ethoxy-4-[[(5-methylfuran-2-yl)methylamino]methyl]phenol
SMILESCCOc1cc(CNCc2ccc(C)o2)ccc1O
InChIInChI=1S/C15H19NO3/c1-3-18-15-8-12(5-7-14(15)17)9-16-10-13-6-4-11(2)19-13/h4-8,16-17H,3,9-10H2,1-2H3
InChIKeyFFTXTPORBBRXAJ-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.98
Rot. Bonds6

About 2-ethoxy-4-[[(5-methylfuran-2-yl)methylamino]methyl]phenol

2-ethoxy-4-[[(5-methylfuran-2-yl)methylamino]methyl]phenol (PubChem CID 55081400) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-ethoxy-4-[[(5-methylfuran-2-yl)methylamino]methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-4-[[(5-methylfuran-2-yl)methylamino]methyl]phenol
PubChem CID55081400
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-ethoxy-4-[[(5-methylfuran-2-yl)methylamino]methyl]phenol
SMILESCCOc1cc(CNCc2ccc(C)o2)ccc1O
InChIInChI=1S/C15H19NO3/c1-3-18-15-8-12(5-7-14(15)17)9-16-10-13-6-4-11(2)19-13/h4-8,16-17H,3,9-10H2,1-2H3
InChIKeyFFTXTPORBBRXAJ-UHFFFAOYSA-N
XLogP2.98
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(4-bromophenyl)methylamino]methyl]-2-ethoxyphenol
CID 60735183
1-(3-ethoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 60776548
2-ethoxy-4-(propylaminomethyl)phenol;hydrochloride
CID 53256552
1-(4-butoxy-3-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 119111120
4-[(2,3-dimethylbutylamino)methyl]-2-ethoxyphenol
CID 64570279
2-ethoxy-4-(methylaminomethyl)phenol
CID 16776359
2-ethoxy-4-[[(2-methylpyrimidin-4-yl)methylamino]methyl]phenol
CID 60960431
2-bromo-6-methoxy-4-[[(5-methylfuran-2-yl)methylamino]methyl]phenol
CID 62523498
4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-2-ethoxyphenol
CID 103851618
2-ethoxy-4-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]phenol
CID 106413823
N-[(3,5-dimethylphenyl)methyl]-1-(5-methylfuran-2-yl)methanamine
CID 55081933
2-ethoxy-4-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]phenol
CID 106143749

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[[(5-methylfuran-2-yl)methylamino]methyl]phenol?
The IUPAC name of 2-ethoxy-4-[[(5-methylfuran-2-yl)methylamino]methyl]phenol (CID 55081400) is 2-ethoxy-4-[[(5-methylfuran-2-yl)methylamino]methyl]phenol.
What is the SMILES notation for 2-ethoxy-4-[[(5-methylfuran-2-yl)methylamino]methyl]phenol?
The canonical SMILES for 2-ethoxy-4-[[(5-methylfuran-2-yl)methylamino]methyl]phenol is CCOc1cc(CNCc2ccc(C)o2)ccc1O.
What is the InChIKey of 2-ethoxy-4-[[(5-methylfuran-2-yl)methylamino]methyl]phenol?
The InChIKey is FFTXTPORBBRXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-3-18-15-8-12(5-7-14(15)17)9-16-10-13-6-4-11(2)19-13/h4-8,16-17H,3,9-10H2,1-2H3.
What are the key properties of 2-ethoxy-4-[[(5-methylfuran-2-yl)methylamino]methyl]phenol?
2-ethoxy-4-[[(5-methylfuran-2-yl)methylamino]methyl]phenol has a molecular weight of 261.32 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[[(5-methylfuran-2-yl)methylamino]methyl]phenol is sourced from PubChem (CID 55081400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).