4-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]-2,6-dimethylphenol

C13H21NO3 — CID 114155638

IUPAC4-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]-2,6-dimethylphenol
SMILESCOCC(CO)NCc1cc(C)c(O)c(C)c1
InChIInChI=1S/C13H21NO3/c1-9-4-11(5-10(2)13(9)16)6-14-12(7-15)8-17-3/h4-5,12,14-16H,6-8H2,1-3H3
InChIKeyMVFAUWPMTYFHGF-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.11
Rot. Bonds6

About 4-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]-2,6-dimethylphenol

4-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]-2,6-dimethylphenol (PubChem CID 114155638) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 4-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]-2,6-dimethylphenol
PubChem CID114155638
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name4-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]-2,6-dimethylphenol
SMILESCOCC(CO)NCc1cc(C)c(O)c(C)c1
InChIInChI=1S/C13H21NO3/c1-9-4-11(5-10(2)13(9)16)6-14-12(7-15)8-17-3/h4-5,12,14-16H,6-8H2,1-3H3
InChIKeyMVFAUWPMTYFHGF-UHFFFAOYSA-N
XLogP1.11
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]-2,6-dimethylphenol?
The IUPAC name of 4-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]-2,6-dimethylphenol (CID 114155638) is 4-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]-2,6-dimethylphenol is COCC(CO)NCc1cc(C)c(O)c(C)c1.
What is the InChIKey of 4-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]-2,6-dimethylphenol?
The InChIKey is MVFAUWPMTYFHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-9-4-11(5-10(2)13(9)16)6-14-12(7-15)8-17-3/h4-5,12,14-16H,6-8H2,1-3H3.
What are the key properties of 4-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]-2,6-dimethylphenol?
4-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]-2,6-dimethylphenol has a molecular weight of 239.31 g/mol, XLogP of 1.11, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]-2,6-dimethylphenol is sourced from PubChem (CID 114155638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).