5-methoxy-2-[[(2-methylphenyl)methylamino]methyl]phenol

C16H19NO2 — CID 61262143

IUPAC5-methoxy-2-[[(2-methylphenyl)methylamino]methyl]phenol
SMILESCOc1ccc(CNCc2ccccc2C)c(O)c1
InChIInChI=1S/C16H19NO2/c1-12-5-3-4-6-13(12)10-17-11-14-7-8-15(19-2)9-16(14)18/h3-9,17-18H,10-11H2,1-2H3
InChIKeyBTDQQGRUQJEHRJ-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.00
Rot. Bonds5

About 5-methoxy-2-[[(2-methylphenyl)methylamino]methyl]phenol

5-methoxy-2-[[(2-methylphenyl)methylamino]methyl]phenol (PubChem CID 61262143) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 5-methoxy-2-[[(2-methylphenyl)methylamino]methyl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[[(2-methylphenyl)methylamino]methyl]phenol
PubChem CID61262143
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name5-methoxy-2-[[(2-methylphenyl)methylamino]methyl]phenol
SMILESCOc1ccc(CNCc2ccccc2C)c(O)c1
InChIInChI=1S/C16H19NO2/c1-12-5-3-4-6-13(12)10-17-11-14-7-8-15(19-2)9-16(14)18/h3-9,17-18H,10-11H2,1-2H3
InChIKeyBTDQQGRUQJEHRJ-UHFFFAOYSA-N
XLogP3.00
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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
2-[[(2-chlorophenyl)methylamino]methyl]-5-methoxyphenol
CID 61268747
5-methoxy-2-[[(3-methyl-2-pyridinyl)methylamino]methyl]phenol
CID 55203662
2-(ethylaminomethyl)-5-methoxyphenol
CID 39257600
2-[[(2,4-dimethoxyphenyl)methylamino]methyl]phenol
CID 62732592
2-[[(2-methylphenyl)methylamino]methyl]phenol
CID 60912930
2-[(cyclopropylmethylamino)methyl]-5-methoxyphenol
CID 61268390
2-[(2-aminoethylamino)methyl]-5-methoxyphenol
CID 61261958
2,6-dimethoxy-4-[[(2-methylphenyl)methylamino]methyl]phenol
CID 60657941
2-[(4-hydroxybutylamino)methyl]-5-methoxyphenol
CID 106840604
N-[[2-(methoxymethyl)phenyl]methyl]-1-(2-methylphenyl)methanamine
CID 60744139
2-[[(2-hydroxy-3-phenylpropyl)amino]methyl]-5-methoxyphenol
CID 111104741

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[[(2-methylphenyl)methylamino]methyl]phenol?
The IUPAC name of 5-methoxy-2-[[(2-methylphenyl)methylamino]methyl]phenol (CID 61262143) is 5-methoxy-2-[[(2-methylphenyl)methylamino]methyl]phenol.
What is the SMILES notation for 5-methoxy-2-[[(2-methylphenyl)methylamino]methyl]phenol?
The canonical SMILES for 5-methoxy-2-[[(2-methylphenyl)methylamino]methyl]phenol is COc1ccc(CNCc2ccccc2C)c(O)c1.
What is the InChIKey of 5-methoxy-2-[[(2-methylphenyl)methylamino]methyl]phenol?
The InChIKey is BTDQQGRUQJEHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-12-5-3-4-6-13(12)10-17-11-14-7-8-15(19-2)9-16(14)18/h3-9,17-18H,10-11H2,1-2H3.
What are the key properties of 5-methoxy-2-[[(2-methylphenyl)methylamino]methyl]phenol?
5-methoxy-2-[[(2-methylphenyl)methylamino]methyl]phenol has a molecular weight of 257.33 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[[(2-methylphenyl)methylamino]methyl]phenol is sourced from PubChem (CID 61262143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).