2-[[(2,4-dimethoxyphenyl)methylamino]methyl]phenol

C16H19NO3 — CID 62732592

IUPAC2-[[(2,4-dimethoxyphenyl)methylamino]methyl]phenol
SMILESCOc1ccc(CNCc2ccccc2O)c(OC)c1
InChIInChI=1S/C16H19NO3/c1-19-14-8-7-13(16(9-14)20-2)11-17-10-12-5-3-4-6-15(12)18/h3-9,17-18H,10-11H2,1-2H3
InChIKeyASHPVHZOZJXODC-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.70
Rot. Bonds6

About 2-[[(2,4-dimethoxyphenyl)methylamino]methyl]phenol

2-[[(2,4-dimethoxyphenyl)methylamino]methyl]phenol (PubChem CID 62732592) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-[[(2,4-dimethoxyphenyl)methylamino]methyl]phenol.

Molecular Properties

Compound Name2-[[(2,4-dimethoxyphenyl)methylamino]methyl]phenol
PubChem CID62732592
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name2-[[(2,4-dimethoxyphenyl)methylamino]methyl]phenol
SMILESCOc1ccc(CNCc2ccccc2O)c(OC)c1
InChIInChI=1S/C16H19NO3/c1-19-14-8-7-13(16(9-14)20-2)11-17-10-12-5-3-4-6-15(12)18/h3-9,17-18H,10-11H2,1-2H3
InChIKeyASHPVHZOZJXODC-UHFFFAOYSA-N
XLogP2.70
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.70
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

1-(2,4-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 39370180
N-[(2-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine
CID 4719073
N-[(2-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine;hydrochloride
CID 17293463
N-[(2,4-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine
CID 738572
5-methoxy-2-[[(2-methylphenyl)methylamino]methyl]phenol
CID 61262143
N-[(2,6-dichlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine
CID 60961220
2-[[(2-chlorophenyl)methylamino]methyl]-5-methoxyphenol
CID 61268747
1-(2,4-dimethoxyphenyl)-N-[(2,6-dimethylphenyl)methyl]methanamine
CID 81318862
1-(2,4-dimethoxyphenyl)-N-[(3,5-dimethoxyphenyl)methyl]methanamine;hydrochloride
CID 47020695
2-[(2,4-dimethoxyphenyl)methylamino]ethanethiol
CID 115223928
2-[(2,4-dimethoxyphenyl)methylamino]acetic acid
CID 11042399
2-(ethylaminomethyl)-5-methoxyphenol
CID 39257600

Frequently Asked Questions

What is the IUPAC name of 2-[[(2,4-dimethoxyphenyl)methylamino]methyl]phenol?
The IUPAC name of 2-[[(2,4-dimethoxyphenyl)methylamino]methyl]phenol (CID 62732592) is 2-[[(2,4-dimethoxyphenyl)methylamino]methyl]phenol.
What is the SMILES notation for 2-[[(2,4-dimethoxyphenyl)methylamino]methyl]phenol?
The canonical SMILES for 2-[[(2,4-dimethoxyphenyl)methylamino]methyl]phenol is COc1ccc(CNCc2ccccc2O)c(OC)c1.
What is the InChIKey of 2-[[(2,4-dimethoxyphenyl)methylamino]methyl]phenol?
The InChIKey is ASHPVHZOZJXODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-19-14-8-7-13(16(9-14)20-2)11-17-10-12-5-3-4-6-15(12)18/h3-9,17-18H,10-11H2,1-2H3.
What are the key properties of 2-[[(2,4-dimethoxyphenyl)methylamino]methyl]phenol?
2-[[(2,4-dimethoxyphenyl)methylamino]methyl]phenol has a molecular weight of 273.33 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,4-dimethoxyphenyl)methylamino]methyl]phenol is sourced from PubChem (CID 62732592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).