1-(dimethylamino)ethanol;toluene

C11H19NO — CID 118211562

IUPAC1-(dimethylamino)ethanol;toluene
SMILESCC(O)N(C)C.Cc1ccccc1
InChIInChI=1S/C7H8.C4H11NO/c1-7-5-3-2-4-6-7;1-4(6)5(2)3/h2-6H,1H3;4,6H,1-3H3
InChIKeyIBCSFRWIGOQJGK-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.88
Rot. Bonds1

About 1-(dimethylamino)ethanol;toluene

1-(dimethylamino)ethanol;toluene (PubChem CID 118211562) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-(dimethylamino)ethanol;toluene.

Molecular Properties

Compound Name1-(dimethylamino)ethanol;toluene
PubChem CID118211562
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-(dimethylamino)ethanol;toluene
SMILESCC(O)N(C)C.Cc1ccccc1
InChIInChI=1S/C7H8.C4H11NO/c1-7-5-3-2-4-6-7;1-4(6)5(2)3/h2-6H,1H3;4,6H,1-3H3
InChIKeyIBCSFRWIGOQJGK-UHFFFAOYSA-N
XLogP1.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)ethanol;toluene?
The IUPAC name of 1-(dimethylamino)ethanol;toluene (CID 118211562) is 1-(dimethylamino)ethanol;toluene.
What is the SMILES notation for 1-(dimethylamino)ethanol;toluene?
The canonical SMILES for 1-(dimethylamino)ethanol;toluene is CC(O)N(C)C.Cc1ccccc1.
What is the InChIKey of 1-(dimethylamino)ethanol;toluene?
The InChIKey is IBCSFRWIGOQJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C4H11NO/c1-7-5-3-2-4-6-7;1-4(6)5(2)3/h2-6H,1H3;4,6H,1-3H3.
What are the key properties of 1-(dimethylamino)ethanol;toluene?
1-(dimethylamino)ethanol;toluene has a molecular weight of 181.28 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)ethanol;toluene is sourced from PubChem (CID 118211562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).