5-[[(2-hydroxy-2-phenylethyl)-methylamino]methyl]-2-methoxyphenol

C17H21NO3 — CID 13248722

IUPAC5-[[(2-hydroxy-2-phenylethyl)-methylamino]methyl]-2-methoxyphenol
SMILESCOc1ccc(CN(C)CC(O)c2ccccc2)cc1O
InChIInChI=1S/C17H21NO3/c1-18(12-16(20)14-6-4-3-5-7-14)11-13-8-9-17(21-2)15(19)10-13/h3-10,16,19-20H,11-12H2,1-2H3
InChIKeyGGFOBFUJABUWMA-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.57
Rot. Bonds6

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

5-[[(2-hydroxy-2-phenylethyl)-methylamino]methyl]-2-methoxyphenol (PubChem CID 13248722) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 5-[[(2-hydroxy-2-phenylethyl)-methylamino]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[[(2-hydroxy-2-phenylethyl)-methylamino]methyl]-2-methoxyphenol
PubChem CID13248722
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name5-[[(2-hydroxy-2-phenylethyl)-methylamino]methyl]-2-methoxyphenol
SMILESCOc1ccc(CN(C)CC(O)c2ccccc2)cc1O
InChIInChI=1S/C17H21NO3/c1-18(12-16(20)14-6-4-3-5-7-14)11-13-8-9-17(21-2)15(19)10-13/h3-10,16,19-20H,11-12H2,1-2H3
InChIKeyGGFOBFUJABUWMA-UHFFFAOYSA-N
XLogP2.57
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-chloro-4-methoxyphenyl)methyl-methylamino]-1-phenylethanol
CID 20766059
(1R)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-1-phenylethanol
CID 2119815
(1S)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-1-phenylethanol
CID 2119817
4-[[[2-(3-chlorophenyl)-2-hydroxyethyl]-methylamino]methyl]-2-methoxyphenol
CID 111825465
4-[2-[benzyl(methyl)amino]-1-hydroxyethyl]benzene-1,2-diol
CID 22005903
2-methoxy-5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenol
CID 79310118
2-[(3-hydroxy-4-methoxyphenyl)methyl-methylamino]-N,N-dimethylacetamide
CID 79833184
2-methoxy-5-[[methyl(4-methylpentan-2-yl)amino]methyl]phenol
CID 82985643
2-[benzyl(methyl)amino]-1-phenylethanol;2-[benzyl(methyl)amino]-2-phenylethanol
CID 110192818
2-[[4-(2-ethoxyphenyl)phenyl]methyl-methylamino]-1-phenylethanol
CID 10089991
1-[(3-amino-4-methoxyphenyl)methyl-methylamino]propan-2-ol
CID 62333055
5-[2-[1-(3-hydroxy-4-methoxyphenyl)propan-2-yloxy]propyl]-2-methoxyphenol
CID 139528672

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-hydroxy-2-phenylethyl)-methylamino]methyl]-2-methoxyphenol?
The IUPAC name of 5-[[(2-hydroxy-2-phenylethyl)-methylamino]methyl]-2-methoxyphenol (CID 13248722) is 5-[[(2-hydroxy-2-phenylethyl)-methylamino]methyl]-2-methoxyphenol.
What is the SMILES notation for 5-[[(2-hydroxy-2-phenylethyl)-methylamino]methyl]-2-methoxyphenol?
The canonical SMILES for 5-[[(2-hydroxy-2-phenylethyl)-methylamino]methyl]-2-methoxyphenol is COc1ccc(CN(C)CC(O)c2ccccc2)cc1O.
What is the InChIKey of 5-[[(2-hydroxy-2-phenylethyl)-methylamino]methyl]-2-methoxyphenol?
The InChIKey is GGFOBFUJABUWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-18(12-16(20)14-6-4-3-5-7-14)11-13-8-9-17(21-2)15(19)10-13/h3-10,16,19-20H,11-12H2,1-2H3.
What are the key properties of 5-[[(2-hydroxy-2-phenylethyl)-methylamino]methyl]-2-methoxyphenol?
5-[[(2-hydroxy-2-phenylethyl)-methylamino]methyl]-2-methoxyphenol has a molecular weight of 287.36 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-hydroxy-2-phenylethyl)-methylamino]methyl]-2-methoxyphenol is sourced from PubChem (CID 13248722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).