4-chloro-2-methoxy-6-[[(5-methylfuran-2-yl)methylamino]methyl]phenol

C14H16ClNO3 — CID 104663860

IUPAC4-chloro-2-methoxy-6-[[(5-methylfuran-2-yl)methylamino]methyl]phenol
SMILESCOc1cc(Cl)cc(CNCc2ccc(C)o2)c1O
InChIInChI=1S/C14H16ClNO3/c1-9-3-4-12(19-9)8-16-7-10-5-11(15)6-13(18-2)14(10)17/h3-6,16-17H,7-8H2,1-2H3
InChIKeyIPPCYEYIEBOWDZ-UHFFFAOYSA-N
MW281.74 g/mol
LogP3.25
Rot. Bonds5

About 4-chloro-2-methoxy-6-[[(5-methylfuran-2-yl)methylamino]methyl]phenol

4-chloro-2-methoxy-6-[[(5-methylfuran-2-yl)methylamino]methyl]phenol (PubChem CID 104663860) has the molecular formula C14H16ClNO3 and a molecular weight of 281.74 g/mol. Its IUPAC name is 4-chloro-2-methoxy-6-[[(5-methylfuran-2-yl)methylamino]methyl]phenol.

Molecular Properties

Compound Name4-chloro-2-methoxy-6-[[(5-methylfuran-2-yl)methylamino]methyl]phenol
PubChem CID104663860
Molecular FormulaC14H16ClNO3
Molecular Weight281.74 g/mol
Exact Mass281.08
IUPAC Name4-chloro-2-methoxy-6-[[(5-methylfuran-2-yl)methylamino]methyl]phenol
SMILESCOc1cc(Cl)cc(CNCc2ccc(C)o2)c1O
InChIInChI=1S/C14H16ClNO3/c1-9-3-4-12(19-9)8-16-7-10-5-11(15)6-13(18-2)14(10)17/h3-6,16-17H,7-8H2,1-2H3
InChIKeyIPPCYEYIEBOWDZ-UHFFFAOYSA-N
XLogP3.25
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 53.25
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

N-[(5-chloro-2-methoxyphenyl)methyl]-1-(5-methylfuran-2-yl)methanamine
CID 55071098
4-chloro-2-[(furan-3-ylmethylamino)methyl]-6-methoxyphenol
CID 113436734
2-bromo-6-methoxy-4-[[(5-methylfuran-2-yl)methylamino]methyl]phenol
CID 62523498
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-pyridin-4-ylethylamino)methyl]phenol
CID 104646490
4-chloro-2-[(1,4-dioxan-2-ylmethylamino)methyl]-6-methoxyphenol
CID 104646147
3-[[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]methyl]benzonitrile
CID 104646106
4-chloro-2-methoxy-6-[[(4-methoxy-2,2-dimethylbutyl)amino]methyl]phenol
CID 104651095
3-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]-N-methylpropanamide
CID 104646206

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methoxy-6-[[(5-methylfuran-2-yl)methylamino]methyl]phenol?
The IUPAC name of 4-chloro-2-methoxy-6-[[(5-methylfuran-2-yl)methylamino]methyl]phenol (CID 104663860) is 4-chloro-2-methoxy-6-[[(5-methylfuran-2-yl)methylamino]methyl]phenol.
What is the SMILES notation for 4-chloro-2-methoxy-6-[[(5-methylfuran-2-yl)methylamino]methyl]phenol?
The canonical SMILES for 4-chloro-2-methoxy-6-[[(5-methylfuran-2-yl)methylamino]methyl]phenol is COc1cc(Cl)cc(CNCc2ccc(C)o2)c1O.
What is the InChIKey of 4-chloro-2-methoxy-6-[[(5-methylfuran-2-yl)methylamino]methyl]phenol?
The InChIKey is IPPCYEYIEBOWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO3/c1-9-3-4-12(19-9)8-16-7-10-5-11(15)6-13(18-2)14(10)17/h3-6,16-17H,7-8H2,1-2H3.
What are the key properties of 4-chloro-2-methoxy-6-[[(5-methylfuran-2-yl)methylamino]methyl]phenol?
4-chloro-2-methoxy-6-[[(5-methylfuran-2-yl)methylamino]methyl]phenol has a molecular weight of 281.74 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methoxy-6-[[(5-methylfuran-2-yl)methylamino]methyl]phenol is sourced from PubChem (CID 104663860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).