4-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]-2,6-dimethoxyphenol

C15H19NO4 — CID 81402939

IUPAC4-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]-2,6-dimethoxyphenol
SMILESCOc1cc(CN[C@@H](C)c2ccco2)cc(OC)c1O
InChIInChI=1S/C15H19NO4/c1-10(12-5-4-6-20-12)16-9-11-7-13(18-2)15(17)14(8-11)19-3/h4-8,10,16-17H,9H2,1-3H3/t10-/m0/s1
InChIKeyZGKZCJZONJXIKN-JTQLQIEISA-N
MW277.32 g/mol
LogP2.85
Rot. Bonds6

About 4-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]-2,6-dimethoxyphenol

4-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]-2,6-dimethoxyphenol (PubChem CID 81402939) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 4-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]-2,6-dimethoxyphenol
PubChem CID81402939
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name4-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]-2,6-dimethoxyphenol
SMILESCOc1cc(CN[C@@H](C)c2ccco2)cc(OC)c1O
InChIInChI=1S/C15H19NO4/c1-10(12-5-4-6-20-12)16-9-11-7-13(18-2)15(17)14(8-11)19-3/h4-8,10,16-17H,9H2,1-3H3/t10-/m0/s1
InChIKeyZGKZCJZONJXIKN-JTQLQIEISA-N
XLogP2.85
TPSA63.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-4-[[1-(furan-2-yl)ethylamino]methyl]-6-methoxyphenol
CID 43400285
(1S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81402570
2,6-dimethoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenol
CID 7154257
2-ethoxy-4-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]phenol
CID 81403520
4-[(furan-2-ylmethylamino)methyl]-2,6-dimethoxyphenol;hydrochloride
CID 24746812
(1S)-1-(furan-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 81402590
5-[[1-(furan-2-yl)ethylamino]methyl]-2-methoxybenzonitrile
CID 65335873
2,6-dimethoxy-4-[(1-thiophen-2-ylethylamino)methyl]phenol
CID 43182777
(1S)-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81403898
N-[(2,5-dimethoxyphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 43400255
[3-[[1-(furan-2-yl)ethylamino]methyl]phenyl]methanol
CID 103781809
2,6-dimethoxy-4-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]phenol
CID 28644929

Frequently Asked Questions

What is the IUPAC name of 4-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]-2,6-dimethoxyphenol?
The IUPAC name of 4-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]-2,6-dimethoxyphenol (CID 81402939) is 4-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]-2,6-dimethoxyphenol.
What is the SMILES notation for 4-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]-2,6-dimethoxyphenol?
The canonical SMILES for 4-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]-2,6-dimethoxyphenol is COc1cc(CN[C@@H](C)c2ccco2)cc(OC)c1O.
What is the InChIKey of 4-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]-2,6-dimethoxyphenol?
The InChIKey is ZGKZCJZONJXIKN-JTQLQIEISA-N. The full InChI is InChI=1S/C15H19NO4/c1-10(12-5-4-6-20-12)16-9-11-7-13(18-2)15(17)14(8-11)19-3/h4-8,10,16-17H,9H2,1-3H3/t10-/m0/s1.
What are the key properties of 4-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]-2,6-dimethoxyphenol?
4-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]-2,6-dimethoxyphenol has a molecular weight of 277.32 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]-2,6-dimethoxyphenol is sourced from PubChem (CID 81402939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).