3-[[(2-methoxy-3-methylphenyl)methylamino]methyl]phenol

C16H19NO2 — CID 167826049

IUPAC3-[[(2-methoxy-3-methylphenyl)methylamino]methyl]phenol
SMILESCOc1c(C)cccc1CNCc1cccc(O)c1
InChIInChI=1S/C16H19NO2/c1-12-5-3-7-14(16(12)19-2)11-17-10-13-6-4-8-15(18)9-13/h3-9,17-18H,10-11H2,1-2H3
InChIKeyVNAAGJSJAROXRU-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.00
Rot. Bonds5

About 3-[[(2-methoxy-3-methylphenyl)methylamino]methyl]phenol

3-[[(2-methoxy-3-methylphenyl)methylamino]methyl]phenol (PubChem CID 167826049) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3-[[(2-methoxy-3-methylphenyl)methylamino]methyl]phenol.

Molecular Properties

Compound Name3-[[(2-methoxy-3-methylphenyl)methylamino]methyl]phenol
PubChem CID167826049
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name3-[[(2-methoxy-3-methylphenyl)methylamino]methyl]phenol
SMILESCOc1c(C)cccc1CNCc1cccc(O)c1
InChIInChI=1S/C16H19NO2/c1-12-5-3-7-14(16(12)19-2)11-17-10-13-6-4-8-15(18)9-13/h3-9,17-18H,10-11H2,1-2H3
InChIKeyVNAAGJSJAROXRU-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

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Related Compounds

3-[[2-methyl-6-(propylaminomethyl)phenoxy]methyl]phenol
CID 115952789
3-[[2-(2-methylphenyl)ethylamino]methyl]phenol
CID 78910580
3-[(3-methoxy-2,4-dimethylanilino)methyl]phenol
CID 43739022
N-[(2-methoxy-3-methylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 97179205
3-[[(2-methyl-3-nitrophenyl)methylamino]methyl]phenol
CID 103114699
N-[(2,3-dimethoxyphenyl)methyl]-1-phenylmethanamine
CID 769797
2,6-dimethoxy-4-[[(2-methylphenyl)methylamino]methyl]phenol
CID 60657941
3-[[2-(aminomethyl)-6-methylphenoxy]methyl]phenol
CID 112607358
4-[[2-(ethylaminomethyl)-6-methylphenoxy]methyl]phenol
CID 115952579
3-[[(1-ethyl-5-methylpyrazol-4-yl)methylamino]methyl]phenol
CID 19627475
3-(propylaminomethyl)phenol
CID 10725714
3-[2-[2-(2-methylphenyl)ethylamino]ethyl]phenol
CID 21152964

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-methoxy-3-methylphenyl)methylamino]methyl]phenol?
The IUPAC name of 3-[[(2-methoxy-3-methylphenyl)methylamino]methyl]phenol (CID 167826049) is 3-[[(2-methoxy-3-methylphenyl)methylamino]methyl]phenol.
What is the SMILES notation for 3-[[(2-methoxy-3-methylphenyl)methylamino]methyl]phenol?
The canonical SMILES for 3-[[(2-methoxy-3-methylphenyl)methylamino]methyl]phenol is COc1c(C)cccc1CNCc1cccc(O)c1.
What is the InChIKey of 3-[[(2-methoxy-3-methylphenyl)methylamino]methyl]phenol?
The InChIKey is VNAAGJSJAROXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-12-5-3-7-14(16(12)19-2)11-17-10-13-6-4-8-15(18)9-13/h3-9,17-18H,10-11H2,1-2H3.
What are the key properties of 3-[[(2-methoxy-3-methylphenyl)methylamino]methyl]phenol?
3-[[(2-methoxy-3-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 3-[[(2-methoxy-3-methylphenyl)methylamino]methyl]phenol is sourced from PubChem (CID 167826049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).