4-[[(2-hydroxy-1-phenylethyl)amino]methyl]-2,6-dimethylphenol

C17H21NO2 — CID 63182162

IUPAC4-[[(2-hydroxy-1-phenylethyl)amino]methyl]-2,6-dimethylphenol
SMILESCc1cc(CNC(CO)c2ccccc2)cc(C)c1O
InChIInChI=1S/C17H21NO2/c1-12-8-14(9-13(2)17(12)20)10-18-16(11-19)15-6-4-3-5-7-15/h3-9,16,18-20H,10-11H2,1-2H3
InChIKeyAGFRBICNVFUSOY-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.83
Rot. Bonds5

About 4-[[(2-hydroxy-1-phenylethyl)amino]methyl]-2,6-dimethylphenol

4-[[(2-hydroxy-1-phenylethyl)amino]methyl]-2,6-dimethylphenol (PubChem CID 63182162) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-[[(2-hydroxy-1-phenylethyl)amino]methyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[[(2-hydroxy-1-phenylethyl)amino]methyl]-2,6-dimethylphenol
PubChem CID63182162
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name4-[[(2-hydroxy-1-phenylethyl)amino]methyl]-2,6-dimethylphenol
SMILESCc1cc(CNC(CO)c2ccccc2)cc(C)c1O
InChIInChI=1S/C17H21NO2/c1-12-8-14(9-13(2)17(12)20)10-18-16(11-19)15-6-4-3-5-7-15/h3-9,16,18-20H,10-11H2,1-2H3
InChIKeyAGFRBICNVFUSOY-UHFFFAOYSA-N
XLogP2.83
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dimethyl-4-[[1-(4-methylphenyl)propylamino]methyl]phenol
CID 43221263
5-[[(2-hydroxy-1-phenylethyl)amino]methyl]-2-methoxyphenol
CID 63184778
2-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-(3-methoxyphenyl)ethanol
CID 111467761
(2R)-2-[[4-(difluoromethyl)phenyl]methylamino]-2-phenylethanol
CID 104709077
2,6-dimethyl-4-[(4-phenylbutan-2-ylamino)methyl]phenol
CID 43085015
2-ethoxy-4-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]phenol
CID 107862653
(2R)-2-phenyl-2-(thiophen-3-ylmethylamino)ethanol
CID 103766360
(2R)-2-[(4-cyclopropylphenyl)methylamino]-2-phenylethanol
CID 107862540
(2R)-2-(1,3-benzodioxol-5-ylmethylamino)-2-phenylethanol
CID 107862523
2-[(3-ethoxyphenyl)methylamino]-2-phenylethanol
CID 63182690
2-(benzylamino)-2-(4-chlorophenyl)ethanol
CID 61046547
2-[(3-bromo-4-methoxyphenyl)methylamino]-2-phenylethanol
CID 63182463

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-hydroxy-1-phenylethyl)amino]methyl]-2,6-dimethylphenol?
The IUPAC name of 4-[[(2-hydroxy-1-phenylethyl)amino]methyl]-2,6-dimethylphenol (CID 63182162) is 4-[[(2-hydroxy-1-phenylethyl)amino]methyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[[(2-hydroxy-1-phenylethyl)amino]methyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[[(2-hydroxy-1-phenylethyl)amino]methyl]-2,6-dimethylphenol is Cc1cc(CNC(CO)c2ccccc2)cc(C)c1O.
What is the InChIKey of 4-[[(2-hydroxy-1-phenylethyl)amino]methyl]-2,6-dimethylphenol?
The InChIKey is AGFRBICNVFUSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12-8-14(9-13(2)17(12)20)10-18-16(11-19)15-6-4-3-5-7-15/h3-9,16,18-20H,10-11H2,1-2H3.
What are the key properties of 4-[[(2-hydroxy-1-phenylethyl)amino]methyl]-2,6-dimethylphenol?
4-[[(2-hydroxy-1-phenylethyl)amino]methyl]-2,6-dimethylphenol has a molecular weight of 271.36 g/mol, XLogP of 2.83, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-hydroxy-1-phenylethyl)amino]methyl]-2,6-dimethylphenol is sourced from PubChem (CID 63182162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).