2-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-6-methylphenol

C13H21NO2 — CID 112555005

IUPAC2-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-6-methylphenol
SMILESCc1cccc(CNCC(C)(C)CO)c1O
InChIInChI=1S/C13H21NO2/c1-10-5-4-6-11(12(10)16)7-14-8-13(2,3)9-15/h4-6,14-16H,7-9H2,1-3H3
InChIKeyQMOKUHCCPLZJGC-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.81
Rot. Bonds5

About 2-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-6-methylphenol

2-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-6-methylphenol (PubChem CID 112555005) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-6-methylphenol.

Molecular Properties

Compound Name2-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-6-methylphenol
PubChem CID112555005
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-6-methylphenol
SMILESCc1cccc(CNCC(C)(C)CO)c1O
InChIInChI=1S/C13H21NO2/c1-10-5-4-6-11(12(10)16)7-14-8-13(2,3)9-15/h4-6,14-16H,7-9H2,1-3H3
InChIKeyQMOKUHCCPLZJGC-UHFFFAOYSA-N
XLogP1.81
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-6-[(2,2,3-trimethylbutylamino)methyl]phenol
CID 102673408
2-(butylaminomethyl)-6-methylphenol
CID 82669937
3-(1,3-benzodioxol-4-ylmethylamino)-2,2-dimethylpropan-1-ol
CID 81412255
tert-butyl 2-[(2-hydroxy-3-methylphenyl)methylamino]acetate
CID 112607107
2-methyl-6-[(2-methylsulfanylethylamino)methyl]phenol
CID 112553913
3-[(2-hydroxy-3-methylphenyl)methylamino]propanoic acid
CID 112606379
2-[(2-cyclobutylethylamino)methyl]-6-methylphenol
CID 115908380
2-[(2-cyclopentylethylamino)methyl]-6-methylphenol
CID 112554008
2-(2,2-dimethylpropyl)-6-methylphenol
CID 22013258
3-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]benzene-1,2-diol
CID 106173037
2-[(2-hydroxy-3-methylphenyl)methyl]-6-methylphenol
CID 164967326
2-methyl-6-[2-methyl-2-(methylamino)propyl]phenol
CID 83698359

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-6-methylphenol?
The IUPAC name of 2-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-6-methylphenol (CID 112555005) is 2-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-6-methylphenol.
What is the SMILES notation for 2-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-6-methylphenol?
The canonical SMILES for 2-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-6-methylphenol is Cc1cccc(CNCC(C)(C)CO)c1O.
What is the InChIKey of 2-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-6-methylphenol?
The InChIKey is QMOKUHCCPLZJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10-5-4-6-11(12(10)16)7-14-8-13(2,3)9-15/h4-6,14-16H,7-9H2,1-3H3.
What are the key properties of 2-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-6-methylphenol?
2-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-6-methylphenol has a molecular weight of 223.32 g/mol, XLogP of 1.81, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-6-methylphenol is sourced from PubChem (CID 112555005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).