2-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]phenol

C12H19NO2 — CID 115884791

IUPAC2-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]phenol
SMILESCN(Cc1ccccc1O)C(C)(C)CO
InChIInChI=1S/C12H19NO2/c1-12(2,9-14)13(3)8-10-6-4-5-7-11(10)15/h4-7,14-15H,8-9H2,1-3H3
InChIKeyWFQWXZHGFHIQNL-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.59
Rot. Bonds4

About 2-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]phenol

2-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]phenol (PubChem CID 115884791) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]phenol.

Molecular Properties

Compound Name2-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]phenol
PubChem CID115884791
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]phenol
SMILESCN(Cc1ccccc1O)C(C)(C)CO
InChIInChI=1S/C12H19NO2/c1-12(2,9-14)13(3)8-10-6-4-5-7-11(10)15/h4-7,14-15H,8-9H2,1-3H3
InChIKeyWFQWXZHGFHIQNL-UHFFFAOYSA-N
XLogP1.59
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-[[[3-[(2-hydroxyphenyl)methyl-methylamino]-2,3-dimethylbutan-2-yl]-methylamino]methyl]phenol
CID 167677663
2-[(2-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol
CID 115882414
2-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]benzamide
CID 113476297
2-methyl-2-[methyl-[(2-methyl-3-pyridinyl)methyl]amino]propan-1-ol
CID 115882420
2-(3-hydroxy-2,2-dimethylpropyl)phenol
CID 135339227
2-[(2-bromo-4-methylphenyl)methyl-methylamino]-2-methylpropan-1-ol
CID 115882400
2-[[hydroxy(oxido)amino]methyl]phenol
CID 141185826
2-[[2,2-difluoroethyl(methyl)amino]methyl]phenol
CID 115624862
2-[2-[(dimethylamino)methyl]phenyl]-2-methylpropan-1-ol
CID 117296837
2-[(2-bromo-5-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol
CID 115882380
2-[[[4-[(2-hydroxyphenyl)methyl-methylamino]cyclohexyl]-methylamino]methyl]phenol
CID 118815979
CID 137424646
CID 137424646

Frequently Asked Questions

What is the IUPAC name of 2-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]phenol?
The IUPAC name of 2-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]phenol (CID 115884791) is 2-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]phenol.
What is the SMILES notation for 2-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]phenol?
The canonical SMILES for 2-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]phenol is CN(Cc1ccccc1O)C(C)(C)CO.
What is the InChIKey of 2-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]phenol?
The InChIKey is WFQWXZHGFHIQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-12(2,9-14)13(3)8-10-6-4-5-7-11(10)15/h4-7,14-15H,8-9H2,1-3H3.
What are the key properties of 2-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]phenol?
2-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]phenol has a molecular weight of 209.29 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]phenol is sourced from PubChem (CID 115884791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).