2-(diethylamino)-1-(2,3-dimethylphenyl)-2-methylpropan-1-ol

C16H27NO — CID 79053151

IUPAC2-(diethylamino)-1-(2,3-dimethylphenyl)-2-methylpropan-1-ol
SMILESCCN(CC)C(C)(C)C(O)c1cccc(C)c1C
InChIInChI=1S/C16H27NO/c1-7-17(8-2)16(5,6)15(18)14-11-9-10-12(3)13(14)4/h9-11,15,18H,7-8H2,1-6H3
InChIKeyTXUMEJQXNNGWDT-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.46
Rot. Bonds5

About 2-(diethylamino)-1-(2,3-dimethylphenyl)-2-methylpropan-1-ol

2-(diethylamino)-1-(2,3-dimethylphenyl)-2-methylpropan-1-ol (PubChem CID 79053151) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-(diethylamino)-1-(2,3-dimethylphenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(diethylamino)-1-(2,3-dimethylphenyl)-2-methylpropan-1-ol
PubChem CID79053151
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2-(diethylamino)-1-(2,3-dimethylphenyl)-2-methylpropan-1-ol
SMILESCCN(CC)C(C)(C)C(O)c1cccc(C)c1C
InChIInChI=1S/C16H27NO/c1-7-17(8-2)16(5,6)15(18)14-11-9-10-12(3)13(14)4/h9-11,15,18H,7-8H2,1-6H3
InChIKeyTXUMEJQXNNGWDT-UHFFFAOYSA-N
XLogP3.46
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-1-(2,3-dimethylphenyl)-2-methylpropan-1-ol?
The IUPAC name of 2-(diethylamino)-1-(2,3-dimethylphenyl)-2-methylpropan-1-ol (CID 79053151) is 2-(diethylamino)-1-(2,3-dimethylphenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(diethylamino)-1-(2,3-dimethylphenyl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(diethylamino)-1-(2,3-dimethylphenyl)-2-methylpropan-1-ol is CCN(CC)C(C)(C)C(O)c1cccc(C)c1C.
What is the InChIKey of 2-(diethylamino)-1-(2,3-dimethylphenyl)-2-methylpropan-1-ol?
The InChIKey is TXUMEJQXNNGWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-7-17(8-2)16(5,6)15(18)14-11-9-10-12(3)13(14)4/h9-11,15,18H,7-8H2,1-6H3.
What are the key properties of 2-(diethylamino)-1-(2,3-dimethylphenyl)-2-methylpropan-1-ol?
2-(diethylamino)-1-(2,3-dimethylphenyl)-2-methylpropan-1-ol has a molecular weight of 249.40 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-1-(2,3-dimethylphenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 79053151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).