5-[[(2-hydroxy-1-phenylethyl)amino]methyl]-2-methoxyphenol

C16H19NO3 — CID 63184778

IUPAC5-[[(2-hydroxy-1-phenylethyl)amino]methyl]-2-methoxyphenol
SMILESCOc1ccc(CNC(CO)c2ccccc2)cc1O
InChIInChI=1S/C16H19NO3/c1-20-16-8-7-12(9-15(16)19)10-17-14(11-18)13-5-3-2-4-6-13/h2-9,14,17-19H,10-11H2,1H3
InChIKeyXRFXAXPLHQDLBW-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.22
Rot. Bonds6

About 5-[[(2-hydroxy-1-phenylethyl)amino]methyl]-2-methoxyphenol

5-[[(2-hydroxy-1-phenylethyl)amino]methyl]-2-methoxyphenol (PubChem CID 63184778) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 5-[[(2-hydroxy-1-phenylethyl)amino]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[[(2-hydroxy-1-phenylethyl)amino]methyl]-2-methoxyphenol
PubChem CID63184778
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name5-[[(2-hydroxy-1-phenylethyl)amino]methyl]-2-methoxyphenol
SMILESCOc1ccc(CNC(CO)c2ccccc2)cc1O
InChIInChI=1S/C16H19NO3/c1-20-16-8-7-12(9-15(16)19)10-17-14(11-18)13-5-3-2-4-6-13/h2-9,14,17-19H,10-11H2,1H3
InChIKeyXRFXAXPLHQDLBW-UHFFFAOYSA-N
XLogP2.22
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-bromo-4-methoxyphenyl)methylamino]-2-phenylethanol
CID 63182463
2-ethoxy-4-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]phenol
CID 107862653
2-methoxy-5-[[1-(2-methoxyphenyl)ethylamino]methyl]phenol
CID 43180902
2-phenyl-2-[(2,3,4-trimethoxyphenyl)methylamino]ethanol
CID 3744836
2-methoxy-5-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]phenol
CID 81354169
N-[(3-bromo-4-methoxyphenyl)methyl]-1-phenylpropan-1-amine
CID 62048590
5-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]-2-methoxyphenol
CID 28682658
4-[[(2-hydroxy-1-phenylethyl)amino]methyl]-2,6-dimethylphenol
CID 63182162
2-methoxy-5-[[1-(4-methoxyphenyl)ethylamino]methyl]phenol
CID 62048765
2-methoxy-5-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol
CID 81349097
5-[[[(1S)-1-(2-bromophenyl)ethyl]amino]methyl]-2-methoxyphenol
CID 51675565
N-[(3-ethoxy-4-methoxyphenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 78823901

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-hydroxy-1-phenylethyl)amino]methyl]-2-methoxyphenol?
The IUPAC name of 5-[[(2-hydroxy-1-phenylethyl)amino]methyl]-2-methoxyphenol (CID 63184778) is 5-[[(2-hydroxy-1-phenylethyl)amino]methyl]-2-methoxyphenol.
What is the SMILES notation for 5-[[(2-hydroxy-1-phenylethyl)amino]methyl]-2-methoxyphenol?
The canonical SMILES for 5-[[(2-hydroxy-1-phenylethyl)amino]methyl]-2-methoxyphenol is COc1ccc(CNC(CO)c2ccccc2)cc1O.
What is the InChIKey of 5-[[(2-hydroxy-1-phenylethyl)amino]methyl]-2-methoxyphenol?
The InChIKey is XRFXAXPLHQDLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-20-16-8-7-12(9-15(16)19)10-17-14(11-18)13-5-3-2-4-6-13/h2-9,14,17-19H,10-11H2,1H3.
What are the key properties of 5-[[(2-hydroxy-1-phenylethyl)amino]methyl]-2-methoxyphenol?
5-[[(2-hydroxy-1-phenylethyl)amino]methyl]-2-methoxyphenol has a molecular weight of 273.33 g/mol, XLogP of 2.22, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-hydroxy-1-phenylethyl)amino]methyl]-2-methoxyphenol is sourced from PubChem (CID 63184778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).