4-(2-amino-2-methylpropyl)-2-methoxy-3,6-dimethylphenol

C13H21NO2 — CID 117320492

IUPAC4-(2-amino-2-methylpropyl)-2-methoxy-3,6-dimethylphenol
SMILESCOc1c(C)c(CC(C)(C)N)cc(C)c1O
InChIInChI=1S/C13H21NO2/c1-8-6-10(7-13(3,4)14)9(2)12(16-5)11(8)15/h6,15H,7,14H2,1-5H3
InChIKeySYLUZOVYFTXZBR-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.30
Rot. Bonds3

About 4-(2-amino-2-methylpropyl)-2-methoxy-3,6-dimethylphenol

4-(2-amino-2-methylpropyl)-2-methoxy-3,6-dimethylphenol (PubChem CID 117320492) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-(2-amino-2-methylpropyl)-2-methoxy-3,6-dimethylphenol.

Molecular Properties

Compound Name4-(2-amino-2-methylpropyl)-2-methoxy-3,6-dimethylphenol
PubChem CID117320492
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name4-(2-amino-2-methylpropyl)-2-methoxy-3,6-dimethylphenol
SMILESCOc1c(C)c(CC(C)(C)N)cc(C)c1O
InChIInChI=1S/C13H21NO2/c1-8-6-10(7-13(3,4)14)9(2)12(16-5)11(8)15/h6,15H,7,14H2,1-5H3
InChIKeySYLUZOVYFTXZBR-UHFFFAOYSA-N
XLogP2.30
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-amino-2-methylpropyl)-2-methoxy-3,4-dimethylphenol
CID 117320493
1-(3,4-dimethoxy-2,5-dimethylphenyl)-2-methylpropan-2-amine
CID 117347561
1-(5-chloro-3-methoxy-2,4-dimethylphenyl)-2-methylpropan-2-amine
CID 117356697
6-(2-amino-2-methylpropyl)-4-bromo-3-methoxy-2-methylphenol
CID 117465337
1-(3,4-dimethoxy-2-methylphenyl)-2-methylpropan-2-amine
CID 117320489
2-amino-3-(4-hydroxy-3-methoxy-2,5-dimethylphenyl)propanoic acid
CID 84701184
1-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-2-amine
CID 82126568
1-(5-bromo-2,4-dimethoxy-3-methylphenyl)-2-methylpropan-2-amine
CID 117486842
1-(5-chloro-2,4-dimethoxy-3-methylphenyl)-2-methylpropan-2-amine
CID 117398192
6-(2-amino-2-methylpropyl)-3-methoxy-2-methylphenol
CID 117299283
3-(4-hydroxy-3-methoxy-2,5-dimethylphenyl)-2-methylpropanoic acid
CID 84700683
6-(2-amino-2-methylpropyl)-3-fluoro-2-methoxyphenol
CID 117304251

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-methylpropyl)-2-methoxy-3,6-dimethylphenol?
The IUPAC name of 4-(2-amino-2-methylpropyl)-2-methoxy-3,6-dimethylphenol (CID 117320492) is 4-(2-amino-2-methylpropyl)-2-methoxy-3,6-dimethylphenol.
What is the SMILES notation for 4-(2-amino-2-methylpropyl)-2-methoxy-3,6-dimethylphenol?
The canonical SMILES for 4-(2-amino-2-methylpropyl)-2-methoxy-3,6-dimethylphenol is COc1c(C)c(CC(C)(C)N)cc(C)c1O.
What is the InChIKey of 4-(2-amino-2-methylpropyl)-2-methoxy-3,6-dimethylphenol?
The InChIKey is SYLUZOVYFTXZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-8-6-10(7-13(3,4)14)9(2)12(16-5)11(8)15/h6,15H,7,14H2,1-5H3.
What are the key properties of 4-(2-amino-2-methylpropyl)-2-methoxy-3,6-dimethylphenol?
4-(2-amino-2-methylpropyl)-2-methoxy-3,6-dimethylphenol has a molecular weight of 223.32 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-methylpropyl)-2-methoxy-3,6-dimethylphenol is sourced from PubChem (CID 117320492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).