2-[4-[(furan-2-ylmethylamino)methyl]-2-methoxyphenoxy]ethanol;hydrochloride

C15H20ClNO4 — CID 17213191

IUPAC2-[4-[(furan-2-ylmethylamino)methyl]-2-methoxyphenoxy]ethanol;hydrochloride
SMILESCOc1cc(CNCc2ccco2)ccc1OCCO.Cl
InChIInChI=1S/C15H19NO4.ClH/c1-18-15-9-12(4-5-14(15)20-8-6-17)10-16-11-13-3-2-7-19-13;/h2-5,7,9,16-17H,6,8,10-11H2,1H3;1H
InChIKeyGFMCZVDGXFMWNI-UHFFFAOYSA-N
MW313.78 g/mol
LogP2.37
Rot. Bonds8

About 2-[4-[(furan-2-ylmethylamino)methyl]-2-methoxyphenoxy]ethanol;hydrochloride

2-[4-[(furan-2-ylmethylamino)methyl]-2-methoxyphenoxy]ethanol;hydrochloride (PubChem CID 17213191) has the molecular formula C15H20ClNO4 and a molecular weight of 313.78 g/mol. Its IUPAC name is 2-[4-[(furan-2-ylmethylamino)methyl]-2-methoxyphenoxy]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[4-[(furan-2-ylmethylamino)methyl]-2-methoxyphenoxy]ethanol;hydrochloride
PubChem CID17213191
Molecular FormulaC15H20ClNO4
Molecular Weight313.78 g/mol
Exact Mass313.11
IUPAC Name2-[4-[(furan-2-ylmethylamino)methyl]-2-methoxyphenoxy]ethanol;hydrochloride
SMILESCOc1cc(CNCc2ccco2)ccc1OCCO.Cl
InChIInChI=1S/C15H19NO4.ClH/c1-18-15-9-12(4-5-14(15)20-8-6-17)10-16-11-13-3-2-7-19-13;/h2-5,7,9,16-17H,6,8,10-11H2,1H3;1H
InChIKeyGFMCZVDGXFMWNI-UHFFFAOYSA-N
XLogP2.37
TPSA63.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-1-(3-methoxy-4-propoxyphenyl)methanamine
CID 29225923
N-(furan-2-ylmethyl)-1-(4-methoxy-3-propoxyphenyl)methanamine
CID 39374430
1-(4-ethoxy-3-methoxyphenyl)-N-(furan-2-ylmethyl)methanamine;oxalic acid
CID 171155021
1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride
CID 17331634
4-[(furan-2-ylmethylamino)methyl]-2,6-dimethoxyphenol;hydrochloride
CID 24746812
2-[2-methoxy-4-[[(2-methoxyphenyl)methylamino]methyl]phenoxy]ethanol
CID 17208366
1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride
CID 17331636
1-(4-butan-2-yloxy-3-methoxyphenyl)-N-(furan-2-ylmethyl)methanamine
CID 54849914
1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine
CID 4723130
1-(furan-2-ylmethyl)-3-[(3-methoxy-4-propoxyphenyl)methyl]-2-methylguanidine
CID 110933741
2-[2-methoxy-4-[[(2,4,6-trimethylphenyl)methylamino]methyl]phenoxy]ethanol
CID 110897097
3-[[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methylamino]methyl]benzoic acid
CID 122030518

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(furan-2-ylmethylamino)methyl]-2-methoxyphenoxy]ethanol;hydrochloride?
The IUPAC name of 2-[4-[(furan-2-ylmethylamino)methyl]-2-methoxyphenoxy]ethanol;hydrochloride (CID 17213191) is 2-[4-[(furan-2-ylmethylamino)methyl]-2-methoxyphenoxy]ethanol;hydrochloride.
What is the SMILES notation for 2-[4-[(furan-2-ylmethylamino)methyl]-2-methoxyphenoxy]ethanol;hydrochloride?
The canonical SMILES for 2-[4-[(furan-2-ylmethylamino)methyl]-2-methoxyphenoxy]ethanol;hydrochloride is COc1cc(CNCc2ccco2)ccc1OCCO.Cl.
What is the InChIKey of 2-[4-[(furan-2-ylmethylamino)methyl]-2-methoxyphenoxy]ethanol;hydrochloride?
The InChIKey is GFMCZVDGXFMWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4.ClH/c1-18-15-9-12(4-5-14(15)20-8-6-17)10-16-11-13-3-2-7-19-13;/h2-5,7,9,16-17H,6,8,10-11H2,1H3;1H.
What are the key properties of 2-[4-[(furan-2-ylmethylamino)methyl]-2-methoxyphenoxy]ethanol;hydrochloride?
2-[4-[(furan-2-ylmethylamino)methyl]-2-methoxyphenoxy]ethanol;hydrochloride has a molecular weight of 313.78 g/mol, XLogP of 2.37, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(furan-2-ylmethylamino)methyl]-2-methoxyphenoxy]ethanol;hydrochloride is sourced from PubChem (CID 17213191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).