2,3-dimethyl-6-(methylamino)phenol;ethane

C15H31NO — CID 143680680

IUPAC2,3-dimethyl-6-(methylamino)phenol;ethane
SMILESCC.CC.CC.CNc1ccc(C)c(C)c1O
InChIInChI=1S/C9H13NO.3C2H6/c1-6-4-5-8(10-3)9(11)7(6)2;3*1-2/h4-5,10-11H,1-3H3;3*1-2H3
InChIKeyJMSIWVHASPWMOL-UHFFFAOYSA-N
MW241.42 g/mol
LogP5.13
Rot. Bonds1

About 2,3-dimethyl-6-(methylamino)phenol;ethane

2,3-dimethyl-6-(methylamino)phenol;ethane (PubChem CID 143680680) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 2,3-dimethyl-6-(methylamino)phenol;ethane.

Molecular Properties

Compound Name2,3-dimethyl-6-(methylamino)phenol;ethane
PubChem CID143680680
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name2,3-dimethyl-6-(methylamino)phenol;ethane
SMILESCC.CC.CC.CNc1ccc(C)c(C)c1O
InChIInChI=1S/C9H13NO.3C2H6/c1-6-4-5-8(10-3)9(11)7(6)2;3*1-2/h4-5,10-11H,1-3H3;3*1-2H3
InChIKeyJMSIWVHASPWMOL-UHFFFAOYSA-N
XLogP5.13
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500241.42
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N,3,4-trimethylaniline
CID 130291337
3-(cyclopropylamino)-2,6-dimethylphenol
CID 103439123
N-(3-hydroxy-2,4-dimethylphenyl)-2-(methylamino)benzamide
CID 61376332
5-[(2-hydroxy-3,4-dimethylanilino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168537460
3-(ethylamino)-2,6-dimethylphenol
CID 43741904
6-[(hydroxyamino)methyl]-2,3-dimethylphenol
CID 117276536
1-hydroxy-5,8-dimethyl-4-(methylamino)anthracene-9,10-dione
CID 59917634
ethane;1,2,3-trimethylbenzene
CID 54068667
N-methyl-N'-(2,3,4-trimethylphenyl)methanediamine
CID 115226596
N,2,3,7-tetramethyl-1H-indol-4-amine
CID 118600283
ruthenium;1,2,3,4-tetramethylbenzene
CID 158325243
ethane;4-(methylamino)pyridin-3-ol
CID 143335394

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-6-(methylamino)phenol;ethane?
The IUPAC name of 2,3-dimethyl-6-(methylamino)phenol;ethane (CID 143680680) is 2,3-dimethyl-6-(methylamino)phenol;ethane.
What is the SMILES notation for 2,3-dimethyl-6-(methylamino)phenol;ethane?
The canonical SMILES for 2,3-dimethyl-6-(methylamino)phenol;ethane is CC.CC.CC.CNc1ccc(C)c(C)c1O.
What is the InChIKey of 2,3-dimethyl-6-(methylamino)phenol;ethane?
The InChIKey is JMSIWVHASPWMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO.3C2H6/c1-6-4-5-8(10-3)9(11)7(6)2;3*1-2/h4-5,10-11H,1-3H3;3*1-2H3.
What are the key properties of 2,3-dimethyl-6-(methylamino)phenol;ethane?
2,3-dimethyl-6-(methylamino)phenol;ethane has a molecular weight of 241.42 g/mol, XLogP of 5.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-6-(methylamino)phenol;ethane is sourced from PubChem (CID 143680680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).