4-(diethylamino)-1-(2,4,6-trimethylphenyl)butan-2-ol

C17H29NO — CID 79086786

IUPAC4-(diethylamino)-1-(2,4,6-trimethylphenyl)butan-2-ol
SMILESCCN(CC)CCC(O)Cc1c(C)cc(C)cc1C
InChIInChI=1S/C17H29NO/c1-6-18(7-2)9-8-16(19)12-17-14(4)10-13(3)11-15(17)5/h10-11,16,19H,6-9,12H2,1-5H3
InChIKeyVBWPLNYNGRWMMV-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.25
Rot. Bonds7

About 4-(diethylamino)-1-(2,4,6-trimethylphenyl)butan-2-ol

4-(diethylamino)-1-(2,4,6-trimethylphenyl)butan-2-ol (PubChem CID 79086786) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 4-(diethylamino)-1-(2,4,6-trimethylphenyl)butan-2-ol.

Molecular Properties

Compound Name4-(diethylamino)-1-(2,4,6-trimethylphenyl)butan-2-ol
PubChem CID79086786
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name4-(diethylamino)-1-(2,4,6-trimethylphenyl)butan-2-ol
SMILESCCN(CC)CCC(O)Cc1c(C)cc(C)cc1C
InChIInChI=1S/C17H29NO/c1-6-18(7-2)9-8-16(19)12-17-14(4)10-13(3)11-15(17)5/h10-11,16,19H,6-9,12H2,1-5H3
InChIKeyVBWPLNYNGRWMMV-UHFFFAOYSA-N
XLogP3.25
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-1-(2,4,6-trimethylphenyl)butan-2-ol?
The IUPAC name of 4-(diethylamino)-1-(2,4,6-trimethylphenyl)butan-2-ol (CID 79086786) is 4-(diethylamino)-1-(2,4,6-trimethylphenyl)butan-2-ol.
What is the SMILES notation for 4-(diethylamino)-1-(2,4,6-trimethylphenyl)butan-2-ol?
The canonical SMILES for 4-(diethylamino)-1-(2,4,6-trimethylphenyl)butan-2-ol is CCN(CC)CCC(O)Cc1c(C)cc(C)cc1C.
What is the InChIKey of 4-(diethylamino)-1-(2,4,6-trimethylphenyl)butan-2-ol?
The InChIKey is VBWPLNYNGRWMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-6-18(7-2)9-8-16(19)12-17-14(4)10-13(3)11-15(17)5/h10-11,16,19H,6-9,12H2,1-5H3.
What are the key properties of 4-(diethylamino)-1-(2,4,6-trimethylphenyl)butan-2-ol?
4-(diethylamino)-1-(2,4,6-trimethylphenyl)butan-2-ol has a molecular weight of 263.43 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-1-(2,4,6-trimethylphenyl)butan-2-ol is sourced from PubChem (CID 79086786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).