2-methoxy-5-[[1-(5-methylfuran-2-yl)ethylamino]methyl]phenol;hydrochloride

C15H20ClNO3 — CID 47008363

IUPAC2-methoxy-5-[[1-(5-methylfuran-2-yl)ethylamino]methyl]phenol;hydrochloride
SMILESCOc1ccc(CNC(C)c2ccc(C)o2)cc1O.Cl
InChIInChI=1S/C15H19NO3.ClH/c1-10-4-6-14(19-10)11(2)16-9-12-5-7-15(18-3)13(17)8-12;/h4-8,11,16-17H,9H2,1-3H3;1H
InChIKeyOUBLIIGILCMVKM-UHFFFAOYSA-N
MW297.78 g/mol
LogP3.57
Rot. Bonds5

About 2-methoxy-5-[[1-(5-methylfuran-2-yl)ethylamino]methyl]phenol;hydrochloride

2-methoxy-5-[[1-(5-methylfuran-2-yl)ethylamino]methyl]phenol;hydrochloride (PubChem CID 47008363) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is 2-methoxy-5-[[1-(5-methylfuran-2-yl)ethylamino]methyl]phenol;hydrochloride.

Molecular Properties

Compound Name2-methoxy-5-[[1-(5-methylfuran-2-yl)ethylamino]methyl]phenol;hydrochloride
PubChem CID47008363
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Name2-methoxy-5-[[1-(5-methylfuran-2-yl)ethylamino]methyl]phenol;hydrochloride
SMILESCOc1ccc(CNC(C)c2ccc(C)o2)cc1O.Cl
InChIInChI=1S/C15H19NO3.ClH/c1-10-4-6-14(19-10)11(2)16-9-12-5-7-15(18-3)13(17)8-12;/h4-8,11,16-17H,9H2,1-3H3;1H
InChIKeyOUBLIIGILCMVKM-UHFFFAOYSA-N
XLogP3.57
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-5-[[[(1R)-1-(5-methylfuran-2-yl)ethyl]amino]methyl]phenol
CID 93026528
2-methoxy-5-[[1-(4-methoxyphenyl)ethylamino]methyl]phenol
CID 62048765
2-methoxy-5-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol
CID 81349097
2-methoxy-5-[[1-(2-methoxyphenyl)ethylamino]methyl]phenol
CID 43180902
1-(5-methylfuran-2-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine;hydrochloride
CID 47008361
N-[(3,5-dimethoxyphenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine
CID 43222058
N-[(2,5-dimethoxyphenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine
CID 43222018
3-[[1-(5-methylfuran-2-yl)ethylamino]methyl]phenol
CID 43222033
5-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]-2-methoxyphenol
CID 28645174
5-[[1-(4-fluorophenyl)ethylamino]methyl]-2-methoxyphenol
CID 43180801
2-methoxy-5-[[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]methyl]phenol
CID 47015161
2-methoxy-5-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]phenol
CID 81354169

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[1-(5-methylfuran-2-yl)ethylamino]methyl]phenol;hydrochloride?
The IUPAC name of 2-methoxy-5-[[1-(5-methylfuran-2-yl)ethylamino]methyl]phenol;hydrochloride (CID 47008363) is 2-methoxy-5-[[1-(5-methylfuran-2-yl)ethylamino]methyl]phenol;hydrochloride.
What is the SMILES notation for 2-methoxy-5-[[1-(5-methylfuran-2-yl)ethylamino]methyl]phenol;hydrochloride?
The canonical SMILES for 2-methoxy-5-[[1-(5-methylfuran-2-yl)ethylamino]methyl]phenol;hydrochloride is COc1ccc(CNC(C)c2ccc(C)o2)cc1O.Cl.
What is the InChIKey of 2-methoxy-5-[[1-(5-methylfuran-2-yl)ethylamino]methyl]phenol;hydrochloride?
The InChIKey is OUBLIIGILCMVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3.ClH/c1-10-4-6-14(19-10)11(2)16-9-12-5-7-15(18-3)13(17)8-12;/h4-8,11,16-17H,9H2,1-3H3;1H.
What are the key properties of 2-methoxy-5-[[1-(5-methylfuran-2-yl)ethylamino]methyl]phenol;hydrochloride?
2-methoxy-5-[[1-(5-methylfuran-2-yl)ethylamino]methyl]phenol;hydrochloride has a molecular weight of 297.78 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[1-(5-methylfuran-2-yl)ethylamino]methyl]phenol;hydrochloride is sourced from PubChem (CID 47008363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).