2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-4-methoxyphenol

C12H19NO3 — CID 28725691

IUPAC2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(CNC(C)(C)CO)c1
InChIInChI=1S/C12H19NO3/c1-12(2,8-14)13-7-9-6-10(16-3)4-5-11(9)15/h4-6,13-15H,7-8H2,1-3H3
InChIKeyDKWJOUPZFKGZGJ-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.26
Rot. Bonds5

About 2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-4-methoxyphenol

2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-4-methoxyphenol (PubChem CID 28725691) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-4-methoxyphenol
PubChem CID28725691
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(CNC(C)(C)CO)c1
InChIInChI=1S/C12H19NO3/c1-12(2,8-14)13-7-9-6-10(16-3)4-5-11(9)15/h4-6,13-15H,7-8H2,1-3H3
InChIKeyDKWJOUPZFKGZGJ-UHFFFAOYSA-N
XLogP1.26
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-methoxyphenyl)methylamino]-2-methylpropan-1-ol;hydrochloride
CID 6458035
2-[(2-hydroxy-5-methoxyphenyl)methylamino]propane-1,3-diol
CID 65310161
2-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]-5-methoxyphenol
CID 64549738
2-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]-4-methoxyphenol
CID 79254235
4-methoxy-2-[(pentan-3-ylamino)methyl]phenol
CID 28611091
2-[(2-bromo-5-methoxyphenyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 107852401
2,6-dichloro-4-[(2-hydroxy-5-methoxyphenyl)methylamino]phenol
CID 107678999
2-[(2,6-difluoroanilino)methyl]-4-methoxyphenol
CID 28974217
N-[(2-bromo-5-methoxyphenyl)methyl]-2-methylbutan-2-amine
CID 65323672
2-[(but-2-ynylamino)methyl]-4-methoxyphenol
CID 115908793
2-[(2-ethylanilino)methyl]-4-methoxyphenol
CID 28617814
2-[[(2,4-difluorophenyl)methylamino]methyl]-4-methoxyphenol
CID 62222408

Frequently Asked Questions

What is the IUPAC name of 2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-4-methoxyphenol?
The IUPAC name of 2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-4-methoxyphenol (CID 28725691) is 2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-4-methoxyphenol.
What is the SMILES notation for 2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-4-methoxyphenol?
The canonical SMILES for 2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-4-methoxyphenol is COc1ccc(O)c(CNC(C)(C)CO)c1.
What is the InChIKey of 2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-4-methoxyphenol?
The InChIKey is DKWJOUPZFKGZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-12(2,8-14)13-7-9-6-10(16-3)4-5-11(9)15/h4-6,13-15H,7-8H2,1-3H3.
What are the key properties of 2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-4-methoxyphenol?
2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-4-methoxyphenol has a molecular weight of 225.29 g/mol, XLogP of 1.26, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-4-methoxyphenol is sourced from PubChem (CID 28725691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).