4-[(furan-2-ylmethylamino)methyl]-2,6-dimethoxyphenol;hydrochloride

C14H18ClNO4 — CID 24746812

IUPAC4-[(furan-2-ylmethylamino)methyl]-2,6-dimethoxyphenol;hydrochloride
SMILESCOc1cc(CNCc2ccco2)cc(OC)c1O.Cl
InChIInChI=1S/C14H17NO4.ClH/c1-17-12-6-10(7-13(18-2)14(12)16)8-15-9-11-4-3-5-19-11;/h3-7,15-16H,8-9H2,1-2H3;1H
InChIKeyXZHBUKWARGCBRI-UHFFFAOYSA-N
MW299.75 g/mol
LogP2.71
Rot. Bonds6

About 4-[(furan-2-ylmethylamino)methyl]-2,6-dimethoxyphenol;hydrochloride

4-[(furan-2-ylmethylamino)methyl]-2,6-dimethoxyphenol;hydrochloride (PubChem CID 24746812) has the molecular formula C14H18ClNO4 and a molecular weight of 299.75 g/mol. Its IUPAC name is 4-[(furan-2-ylmethylamino)methyl]-2,6-dimethoxyphenol;hydrochloride.

Molecular Properties

Compound Name4-[(furan-2-ylmethylamino)methyl]-2,6-dimethoxyphenol;hydrochloride
PubChem CID24746812
Molecular FormulaC14H18ClNO4
Molecular Weight299.75 g/mol
Exact Mass299.09
IUPAC Name4-[(furan-2-ylmethylamino)methyl]-2,6-dimethoxyphenol;hydrochloride
SMILESCOc1cc(CNCc2ccco2)cc(OC)c1O.Cl
InChIInChI=1S/C14H17NO4.ClH/c1-17-12-6-10(7-13(18-2)14(12)16)8-15-9-11-4-3-5-19-11;/h3-7,15-16H,8-9H2,1-2H3;1H
InChIKeyXZHBUKWARGCBRI-UHFFFAOYSA-N
XLogP2.71
TPSA63.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.75
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(furan-2-ylmethylamino)methyl]-2-methoxyphenoxy]ethanol;hydrochloride
CID 17213191
1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride
CID 17331634
4-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]-2,6-dimethoxyphenol
CID 81402939
N-(furan-2-ylmethyl)-1-(4-methoxy-3-propoxyphenyl)methanamine
CID 39374430
N-(furan-2-ylmethyl)-1-(3-methoxy-4-propoxyphenyl)methanamine
CID 29225923
1-(4-ethoxy-3-methoxyphenyl)-N-(furan-2-ylmethyl)methanamine;oxalic acid
CID 171155021
N-[(3-chloro-5-methoxy-4-prop-2-enoxyphenyl)methyl]-1-(furan-2-yl)methanamine
CID 4723923
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;hydrochloride
CID 17331636
N-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]-1-(furan-2-yl)methanamine
CID 17213414
N-(furan-2-ylmethyl)-1-[3-(methoxymethyl)phenyl]methanamine
CID 54893676
3-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)propan-1-amine
CID 83461576

Frequently Asked Questions

What is the IUPAC name of 4-[(furan-2-ylmethylamino)methyl]-2,6-dimethoxyphenol;hydrochloride?
The IUPAC name of 4-[(furan-2-ylmethylamino)methyl]-2,6-dimethoxyphenol;hydrochloride (CID 24746812) is 4-[(furan-2-ylmethylamino)methyl]-2,6-dimethoxyphenol;hydrochloride.
What is the SMILES notation for 4-[(furan-2-ylmethylamino)methyl]-2,6-dimethoxyphenol;hydrochloride?
The canonical SMILES for 4-[(furan-2-ylmethylamino)methyl]-2,6-dimethoxyphenol;hydrochloride is COc1cc(CNCc2ccco2)cc(OC)c1O.Cl.
What is the InChIKey of 4-[(furan-2-ylmethylamino)methyl]-2,6-dimethoxyphenol;hydrochloride?
The InChIKey is XZHBUKWARGCBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4.ClH/c1-17-12-6-10(7-13(18-2)14(12)16)8-15-9-11-4-3-5-19-11;/h3-7,15-16H,8-9H2,1-2H3;1H.
What are the key properties of 4-[(furan-2-ylmethylamino)methyl]-2,6-dimethoxyphenol;hydrochloride?
4-[(furan-2-ylmethylamino)methyl]-2,6-dimethoxyphenol;hydrochloride has a molecular weight of 299.75 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(furan-2-ylmethylamino)methyl]-2,6-dimethoxyphenol;hydrochloride is sourced from PubChem (CID 24746812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).