2-amino-6-(cyclobutylmethoxy)-3,4-dimethylphenol

C13H19NO2 — CID 84686875

IUPAC2-amino-6-(cyclobutylmethoxy)-3,4-dimethylphenol
SMILESCc1cc(OCC2CCC2)c(O)c(N)c1C
InChIInChI=1S/C13H19NO2/c1-8-6-11(13(15)12(14)9(8)2)16-7-10-4-3-5-10/h6,10,15H,3-5,7,14H2,1-2H3
InChIKeyKHTZXNDICZQUHT-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.77
Rot. Bonds3

About 2-amino-6-(cyclobutylmethoxy)-3,4-dimethylphenol

2-amino-6-(cyclobutylmethoxy)-3,4-dimethylphenol (PubChem CID 84686875) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-amino-6-(cyclobutylmethoxy)-3,4-dimethylphenol.

Molecular Properties

Compound Name2-amino-6-(cyclobutylmethoxy)-3,4-dimethylphenol
PubChem CID84686875
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-amino-6-(cyclobutylmethoxy)-3,4-dimethylphenol
SMILESCc1cc(OCC2CCC2)c(O)c(N)c1C
InChIInChI=1S/C13H19NO2/c1-8-6-11(13(15)12(14)9(8)2)16-7-10-4-3-5-10/h6,10,15H,3-5,7,14H2,1-2H3
InChIKeyKHTZXNDICZQUHT-UHFFFAOYSA-N
XLogP2.77
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

6-amino-2-(cyclopropylmethoxy)-3,4-dimethylphenol
CID 84675296
ethyl 2-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]-2-hydroxyacetate
CID 117472199
2-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]-2-hydroxyacetic acid
CID 117415272
1-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]propan-2-one
CID 117368520
3-(cyclohexylmethoxy)-4-methylaniline
CID 43520190
5-(cyclohexylmethoxy)-4-methylbenzene-1,3-diol
CID 175419611
2-(cyclobutylmethoxy)-3,5-dimethylphenol
CID 84674450
4-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]butan-1-amine
CID 117408754
4-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]-1,2-oxazol-5-amine
CID 117433886
[1-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]cyclobutyl]methanamine
CID 117436607
2-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]acetonitrile
CID 84792905
3-(cyclobutylmethoxy)-4-methylbenzoic acid
CID 65458690

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(cyclobutylmethoxy)-3,4-dimethylphenol?
The IUPAC name of 2-amino-6-(cyclobutylmethoxy)-3,4-dimethylphenol (CID 84686875) is 2-amino-6-(cyclobutylmethoxy)-3,4-dimethylphenol.
What is the SMILES notation for 2-amino-6-(cyclobutylmethoxy)-3,4-dimethylphenol?
The canonical SMILES for 2-amino-6-(cyclobutylmethoxy)-3,4-dimethylphenol is Cc1cc(OCC2CCC2)c(O)c(N)c1C.
What is the InChIKey of 2-amino-6-(cyclobutylmethoxy)-3,4-dimethylphenol?
The InChIKey is KHTZXNDICZQUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-8-6-11(13(15)12(14)9(8)2)16-7-10-4-3-5-10/h6,10,15H,3-5,7,14H2,1-2H3.
What are the key properties of 2-amino-6-(cyclobutylmethoxy)-3,4-dimethylphenol?
2-amino-6-(cyclobutylmethoxy)-3,4-dimethylphenol has a molecular weight of 221.30 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(cyclobutylmethoxy)-3,4-dimethylphenol is sourced from PubChem (CID 84686875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).