4-chloro-2-[(furan-3-ylmethylamino)methyl]-6-methoxyphenol

C13H14ClNO3 — CID 113436734

IUPAC4-chloro-2-[(furan-3-ylmethylamino)methyl]-6-methoxyphenol
SMILESCOc1cc(Cl)cc(CNCc2ccoc2)c1O
InChIInChI=1S/C13H14ClNO3/c1-17-12-5-11(14)4-10(13(12)16)7-15-6-9-2-3-18-8-9/h2-5,8,15-16H,6-7H2,1H3
InChIKeyJAYOHBYBQAWCLO-UHFFFAOYSA-N
MW267.71 g/mol
LogP2.94
Rot. Bonds5

About 4-chloro-2-[(furan-3-ylmethylamino)methyl]-6-methoxyphenol

4-chloro-2-[(furan-3-ylmethylamino)methyl]-6-methoxyphenol (PubChem CID 113436734) has the molecular formula C13H14ClNO3 and a molecular weight of 267.71 g/mol. Its IUPAC name is 4-chloro-2-[(furan-3-ylmethylamino)methyl]-6-methoxyphenol.

Molecular Properties

Compound Name4-chloro-2-[(furan-3-ylmethylamino)methyl]-6-methoxyphenol
PubChem CID113436734
Molecular FormulaC13H14ClNO3
Molecular Weight267.71 g/mol
Exact Mass267.07
IUPAC Name4-chloro-2-[(furan-3-ylmethylamino)methyl]-6-methoxyphenol
SMILESCOc1cc(Cl)cc(CNCc2ccoc2)c1O
InChIInChI=1S/C13H14ClNO3/c1-17-12-5-11(14)4-10(13(12)16)7-15-6-9-2-3-18-8-9/h2-5,8,15-16H,6-7H2,1H3
InChIKeyJAYOHBYBQAWCLO-UHFFFAOYSA-N
XLogP2.94
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.71
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-methoxy-6-[[(5-methylfuran-2-yl)methylamino]methyl]phenol
CID 104663860
3-[[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]methyl]benzonitrile
CID 104646106
2-[(furan-3-ylmethylamino)methyl]-4-methoxyphenol
CID 115627586
4-chloro-2-methoxy-6-[(2-pyridin-4-ylethylamino)methyl]phenol
CID 104646490
3-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]propane-1,2-diol
CID 113438661
3-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]propanoic acid
CID 104663774
4-chloro-2-[[(2-hydroxy-2-methylbutyl)amino]methyl]-6-methoxyphenol
CID 104646075
4-chloro-2-methoxy-6-[(4-methoxybutylamino)methyl]phenol
CID 104646127
4-chloro-2-methoxy-6-[(2-pyrrolidin-1-ylpropylamino)methyl]phenol
CID 104663962
1-(furan-3-yl)-N-(furan-3-ylmethyl)methanamine
CID 115607346
3-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]-N-methylpropanamide
CID 104646206
4-chloro-2-methoxy-6-[[(4-methoxy-2,2-dimethylbutyl)amino]methyl]phenol
CID 104651095

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(furan-3-ylmethylamino)methyl]-6-methoxyphenol?
The IUPAC name of 4-chloro-2-[(furan-3-ylmethylamino)methyl]-6-methoxyphenol (CID 113436734) is 4-chloro-2-[(furan-3-ylmethylamino)methyl]-6-methoxyphenol.
What is the SMILES notation for 4-chloro-2-[(furan-3-ylmethylamino)methyl]-6-methoxyphenol?
The canonical SMILES for 4-chloro-2-[(furan-3-ylmethylamino)methyl]-6-methoxyphenol is COc1cc(Cl)cc(CNCc2ccoc2)c1O.
What is the InChIKey of 4-chloro-2-[(furan-3-ylmethylamino)methyl]-6-methoxyphenol?
The InChIKey is JAYOHBYBQAWCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO3/c1-17-12-5-11(14)4-10(13(12)16)7-15-6-9-2-3-18-8-9/h2-5,8,15-16H,6-7H2,1H3.
What are the key properties of 4-chloro-2-[(furan-3-ylmethylamino)methyl]-6-methoxyphenol?
4-chloro-2-[(furan-3-ylmethylamino)methyl]-6-methoxyphenol has a molecular weight of 267.71 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(furan-3-ylmethylamino)methyl]-6-methoxyphenol is sourced from PubChem (CID 113436734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).