4-[[2-(2,4-dimethylphenyl)-2-hydroxyethyl]-methylamino]butan-2-ol

C15H25NO2 — CID 111476844

IUPAC4-[[2-(2,4-dimethylphenyl)-2-hydroxyethyl]-methylamino]butan-2-ol
SMILESCc1ccc(C(O)CN(C)CCC(C)O)c(C)c1
InChIInChI=1S/C15H25NO2/c1-11-5-6-14(12(2)9-11)15(18)10-16(4)8-7-13(3)17/h5-6,9,13,15,17-18H,7-8,10H2,1-4H3
InChIKeyKNBZEAOGUTYAEL-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.04
Rot. Bonds6

About 4-[[2-(2,4-dimethylphenyl)-2-hydroxyethyl]-methylamino]butan-2-ol

4-[[2-(2,4-dimethylphenyl)-2-hydroxyethyl]-methylamino]butan-2-ol (PubChem CID 111476844) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-[[2-(2,4-dimethylphenyl)-2-hydroxyethyl]-methylamino]butan-2-ol.

Molecular Properties

Compound Name4-[[2-(2,4-dimethylphenyl)-2-hydroxyethyl]-methylamino]butan-2-ol
PubChem CID111476844
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name4-[[2-(2,4-dimethylphenyl)-2-hydroxyethyl]-methylamino]butan-2-ol
SMILESCc1ccc(C(O)CN(C)CCC(C)O)c(C)c1
InChIInChI=1S/C15H25NO2/c1-11-5-6-14(12(2)9-11)15(18)10-16(4)8-7-13(3)17/h5-6,9,13,15,17-18H,7-8,10H2,1-4H3
InChIKeyKNBZEAOGUTYAEL-UHFFFAOYSA-N
XLogP2.04
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 94532
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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,4-dimethylphenyl)-2-hydroxyethyl]-methylamino]butan-2-ol?
The IUPAC name of 4-[[2-(2,4-dimethylphenyl)-2-hydroxyethyl]-methylamino]butan-2-ol (CID 111476844) is 4-[[2-(2,4-dimethylphenyl)-2-hydroxyethyl]-methylamino]butan-2-ol.
What is the SMILES notation for 4-[[2-(2,4-dimethylphenyl)-2-hydroxyethyl]-methylamino]butan-2-ol?
The canonical SMILES for 4-[[2-(2,4-dimethylphenyl)-2-hydroxyethyl]-methylamino]butan-2-ol is Cc1ccc(C(O)CN(C)CCC(C)O)c(C)c1.
What is the InChIKey of 4-[[2-(2,4-dimethylphenyl)-2-hydroxyethyl]-methylamino]butan-2-ol?
The InChIKey is KNBZEAOGUTYAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-11-5-6-14(12(2)9-11)15(18)10-16(4)8-7-13(3)17/h5-6,9,13,15,17-18H,7-8,10H2,1-4H3.
What are the key properties of 4-[[2-(2,4-dimethylphenyl)-2-hydroxyethyl]-methylamino]butan-2-ol?
4-[[2-(2,4-dimethylphenyl)-2-hydroxyethyl]-methylamino]butan-2-ol has a molecular weight of 251.37 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,4-dimethylphenyl)-2-hydroxyethyl]-methylamino]butan-2-ol is sourced from PubChem (CID 111476844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).