2-amino-3,4-dimethylphenol;ethane

C10H17NO — CID 145309295

IUPAC2-amino-3,4-dimethylphenol;ethane
SMILESCC.Cc1ccc(O)c(N)c1C
InChIInChI=1S/C8H11NO.C2H6/c1-5-3-4-7(10)8(9)6(5)2;1-2/h3-4,10H,9H2,1-2H3;1-2H3
InChIKeyKEFWNNLYWDJQJA-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.62
Rot. Bonds

About 2-amino-3,4-dimethylphenol;ethane

2-amino-3,4-dimethylphenol;ethane (PubChem CID 145309295) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2-amino-3,4-dimethylphenol;ethane.

Molecular Properties

Compound Name2-amino-3,4-dimethylphenol;ethane
PubChem CID145309295
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2-amino-3,4-dimethylphenol;ethane
SMILESCC.Cc1ccc(O)c(N)c1C
InChIInChI=1S/C8H11NO.C2H6/c1-5-3-4-7(10)8(9)6(5)2;1-2/h3-4,10H,9H2,1-2H3;1-2H3
InChIKeyKEFWNNLYWDJQJA-UHFFFAOYSA-N
XLogP2.62
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3,6-trimethylaniline
CID 11958947
2-amino-5,6-dimethoxy-3-methylphenol;2-amino-3,4-dimethylphenol
CID 174523614
3-amino-4-methylbenzene-1,2-diol
CID 54091209
2-amino-4-methyl-3-(methyliminomethyl)phenol
CID 166076879
2-amino-3-methyl-4-nitrophenol
CID 86240740
3,4-dimethylbenzene-1,2-diamine;sulfuric acid
CID 175877271
ethanol;2,3,4-trimethylphenol
CID 162191958
methyl 3-amino-4-hydroxy-2-methylbenzoate
CID 84768345
3-amino-4-chloro-2-methylphenol
CID 22708831
formic acid;2,3,4-trimethylphenol
CID 67747401
ethyl 3-amino-4-hydroxy-2-methylbenzoate
CID 131486340
2-(2,3,6-trimethylphenyl)benzene-1,4-diol
CID 101299187

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,4-dimethylphenol;ethane?
The IUPAC name of 2-amino-3,4-dimethylphenol;ethane (CID 145309295) is 2-amino-3,4-dimethylphenol;ethane.
What is the SMILES notation for 2-amino-3,4-dimethylphenol;ethane?
The canonical SMILES for 2-amino-3,4-dimethylphenol;ethane is CC.Cc1ccc(O)c(N)c1C.
What is the InChIKey of 2-amino-3,4-dimethylphenol;ethane?
The InChIKey is KEFWNNLYWDJQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO.C2H6/c1-5-3-4-7(10)8(9)6(5)2;1-2/h3-4,10H,9H2,1-2H3;1-2H3.
What are the key properties of 2-amino-3,4-dimethylphenol;ethane?
2-amino-3,4-dimethylphenol;ethane has a molecular weight of 167.25 g/mol, XLogP of 2.62, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,4-dimethylphenol;ethane is sourced from PubChem (CID 145309295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).