2-[[2-(2-methoxyphenyl)ethylamino]methyl]phenol

C16H19NO2 — CID 83318148

IUPAC2-[[2-(2-methoxyphenyl)ethylamino]methyl]phenol
SMILESCOc1ccccc1CCNCc1ccccc1O
InChIInChI=1S/C16H19NO2/c1-19-16-9-5-3-6-13(16)10-11-17-12-14-7-2-4-8-15(14)18/h2-9,17-18H,10-12H2,1H3
InChIKeyNKGBWMZOAYQWOZ-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.73
Rot. Bonds6

About 2-[[2-(2-methoxyphenyl)ethylamino]methyl]phenol

2-[[2-(2-methoxyphenyl)ethylamino]methyl]phenol (PubChem CID 83318148) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-[[2-(2-methoxyphenyl)ethylamino]methyl]phenol.

Molecular Properties

Compound Name2-[[2-(2-methoxyphenyl)ethylamino]methyl]phenol
PubChem CID83318148
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name2-[[2-(2-methoxyphenyl)ethylamino]methyl]phenol
SMILESCOc1ccccc1CCNCc1ccccc1O
InChIInChI=1S/C16H19NO2/c1-19-16-9-5-3-6-13(16)10-11-17-12-14-7-2-4-8-15(14)18/h2-9,17-18H,10-12H2,1H3
InChIKeyNKGBWMZOAYQWOZ-UHFFFAOYSA-N
XLogP2.73
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methoxyphenyl)ethylamino]methyl]phenol?
The IUPAC name of 2-[[2-(2-methoxyphenyl)ethylamino]methyl]phenol (CID 83318148) is 2-[[2-(2-methoxyphenyl)ethylamino]methyl]phenol.
What is the SMILES notation for 2-[[2-(2-methoxyphenyl)ethylamino]methyl]phenol?
The canonical SMILES for 2-[[2-(2-methoxyphenyl)ethylamino]methyl]phenol is COc1ccccc1CCNCc1ccccc1O.
What is the InChIKey of 2-[[2-(2-methoxyphenyl)ethylamino]methyl]phenol?
The InChIKey is NKGBWMZOAYQWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-19-16-9-5-3-6-13(16)10-11-17-12-14-7-2-4-8-15(14)18/h2-9,17-18H,10-12H2,1H3.
What are the key properties of 2-[[2-(2-methoxyphenyl)ethylamino]methyl]phenol?
2-[[2-(2-methoxyphenyl)ethylamino]methyl]phenol has a molecular weight of 257.33 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methoxyphenyl)ethylamino]methyl]phenol is sourced from PubChem (CID 83318148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).