4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-2,6-dimethoxyphenol

C14H23NO4 — CID 115359239

IUPAC4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-2,6-dimethoxyphenol
SMILESCOc1cc(CNCC(C)(C)CO)cc(OC)c1O
InChIInChI=1S/C14H23NO4/c1-14(2,9-16)8-15-7-10-5-11(18-3)13(17)12(6-10)19-4/h5-6,15-17H,7-9H2,1-4H3
InChIKeyPYOQBPAYRRDHPV-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.52
Rot. Bonds7

About 4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-2,6-dimethoxyphenol

4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-2,6-dimethoxyphenol (PubChem CID 115359239) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-2,6-dimethoxyphenol
PubChem CID115359239
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-2,6-dimethoxyphenol
SMILESCOc1cc(CNCC(C)(C)CO)cc(OC)c1O
InChIInChI=1S/C14H23NO4/c1-14(2,9-16)8-15-7-10-5-11(18-3)13(17)12(6-10)19-4/h5-6,15-17H,7-9H2,1-4H3
InChIKeyPYOQBPAYRRDHPV-UHFFFAOYSA-N
XLogP1.52
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-2,6-dimethoxyphenol with MolForge

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Related Compounds

3-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]-2,2-dimethylpropan-1-ol
CID 115745067
2-bromo-6-methoxy-4-[[(4-methoxy-2,2-dimethylbutyl)amino]methyl]phenol
CID 104625173
2-bromo-6-methoxy-4-[[(2-methoxy-2-methylpropyl)amino]methyl]phenol
CID 115671303
3-[(4-fluoro-3,5-dimethylphenyl)methylamino]-2,2-dimethylpropan-1-ol
CID 81411774
2,6-dimethoxy-4-[(2-methoxyethylamino)methyl]phenol
CID 3614509
2,6-dimethoxy-4-(propylaminomethyl)phenol;hydrochloride
CID 45259502
2-bromo-4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]-6-methoxyphenol
CID 28651774
4-[[2-(2-hydroxyethoxy)ethylamino]methyl]-2,6-dimethoxyphenol
CID 28727979
2,6-dimethoxy-4-[(1,3-thiazol-5-ylmethylamino)methyl]phenol
CID 115732274
4-[(2,2-dimethylhydrazinyl)methyl]-2,6-dimethoxyphenol
CID 83002999
3-[(3-hydroxy-4-methoxyphenyl)methylamino]-2-methylpropane-1,2-diol
CID 66168561
4-[(3-methoxy-4-methylsulfanylphenyl)methylamino]-3,3-dimethylbutan-1-ol
CID 111470685

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-2,6-dimethoxyphenol?
The IUPAC name of 4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-2,6-dimethoxyphenol (CID 115359239) is 4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-2,6-dimethoxyphenol.
What is the SMILES notation for 4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-2,6-dimethoxyphenol?
The canonical SMILES for 4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-2,6-dimethoxyphenol is COc1cc(CNCC(C)(C)CO)cc(OC)c1O.
What is the InChIKey of 4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-2,6-dimethoxyphenol?
The InChIKey is PYOQBPAYRRDHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-14(2,9-16)8-15-7-10-5-11(18-3)13(17)12(6-10)19-4/h5-6,15-17H,7-9H2,1-4H3.
What are the key properties of 4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-2,6-dimethoxyphenol?
4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-2,6-dimethoxyphenol has a molecular weight of 269.34 g/mol, XLogP of 1.52, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-2,6-dimethoxyphenol is sourced from PubChem (CID 115359239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).