2-[1-[(2-methoxyphenyl)methylamino]ethyl]benzene-1,3-diol

C16H19NO3 — CID 107710311

IUPAC2-[1-[(2-methoxyphenyl)methylamino]ethyl]benzene-1,3-diol
SMILESCOc1ccccc1CNC(C)c1c(O)cccc1O
InChIInChI=1S/C16H19NO3/c1-11(16-13(18)7-5-8-14(16)19)17-10-12-6-3-4-9-15(12)20-2/h3-9,11,17-19H,10H2,1-2H3
InChIKeyNTTBODCSQBJIOG-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.96
Rot. Bonds5

About 2-[1-[(2-methoxyphenyl)methylamino]ethyl]benzene-1,3-diol

2-[1-[(2-methoxyphenyl)methylamino]ethyl]benzene-1,3-diol (PubChem CID 107710311) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-[1-[(2-methoxyphenyl)methylamino]ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name2-[1-[(2-methoxyphenyl)methylamino]ethyl]benzene-1,3-diol
PubChem CID107710311
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name2-[1-[(2-methoxyphenyl)methylamino]ethyl]benzene-1,3-diol
SMILESCOc1ccccc1CNC(C)c1c(O)cccc1O
InChIInChI=1S/C16H19NO3/c1-11(16-13(18)7-5-8-14(16)19)17-10-12-6-3-4-9-15(12)20-2/h3-9,11,17-19H,10H2,1-2H3
InChIKeyNTTBODCSQBJIOG-UHFFFAOYSA-N
XLogP2.96
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[1-[(2-methoxyphenyl)methylamino]ethyl]benzene-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 43177778
N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 11458027
1-(3,5-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 78950239
2-bromo-6-[[[(1S)-1-(2-methoxyphenyl)ethyl]amino]methyl]phenol
CID 81397811
(2R)-2-N-[(2-methoxyphenyl)methyl]propane-1,2-diamine
CID 104867958
4-[[1-(2-methoxyphenyl)ethylamino]methyl]benzene-1,3-diol
CID 43202064
(1R,2S)-2-[(2-methoxyphenyl)methylamino]-1-phenylpropan-1-ol
CID 54310024
4-[1-[(2-methoxyphenyl)methylamino]ethyl]benzonitrile
CID 43191524
N-[(2-methoxyphenyl)methyl]-1-(4-propylphenyl)ethanamine
CID 43191544
2-methoxy-6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]phenol
CID 81367015
1-(5-chlorothiophen-2-yl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 43427109
1-methoxy-2-[(sulfamoylamino)methyl]benzene
CID 21041220

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methoxyphenyl)methylamino]ethyl]benzene-1,3-diol?
The IUPAC name of 2-[1-[(2-methoxyphenyl)methylamino]ethyl]benzene-1,3-diol (CID 107710311) is 2-[1-[(2-methoxyphenyl)methylamino]ethyl]benzene-1,3-diol.
What is the SMILES notation for 2-[1-[(2-methoxyphenyl)methylamino]ethyl]benzene-1,3-diol?
The canonical SMILES for 2-[1-[(2-methoxyphenyl)methylamino]ethyl]benzene-1,3-diol is COc1ccccc1CNC(C)c1c(O)cccc1O.
What is the InChIKey of 2-[1-[(2-methoxyphenyl)methylamino]ethyl]benzene-1,3-diol?
The InChIKey is NTTBODCSQBJIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-11(16-13(18)7-5-8-14(16)19)17-10-12-6-3-4-9-15(12)20-2/h3-9,11,17-19H,10H2,1-2H3.
What are the key properties of 2-[1-[(2-methoxyphenyl)methylamino]ethyl]benzene-1,3-diol?
2-[1-[(2-methoxyphenyl)methylamino]ethyl]benzene-1,3-diol has a molecular weight of 273.33 g/mol, XLogP of 2.96, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methoxyphenyl)methylamino]ethyl]benzene-1,3-diol is sourced from PubChem (CID 107710311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).