2-[1-(2-hydroxy-3,5-dimethylphenyl)-2-(methylamino)ethyl]-4,6-dimethylphenol

C19H25NO2 — CID 18725086

IUPAC2-[1-(2-hydroxy-3,5-dimethylphenyl)-2-(methylamino)ethyl]-4,6-dimethylphenol
SMILESCNCC(c1cc(C)cc(C)c1O)c1cc(C)cc(C)c1O
InChIInChI=1S/C19H25NO2/c1-11-6-13(3)18(21)15(8-11)17(10-20-5)16-9-12(2)7-14(4)19(16)22/h6-9,17,20-22H,10H2,1-5H3
InChIKeyNVWQNBMOLJBFMV-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.68
Rot. Bonds4

About 2-[1-(2-hydroxy-3,5-dimethylphenyl)-2-(methylamino)ethyl]-4,6-dimethylphenol

2-[1-(2-hydroxy-3,5-dimethylphenyl)-2-(methylamino)ethyl]-4,6-dimethylphenol (PubChem CID 18725086) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 2-[1-(2-hydroxy-3,5-dimethylphenyl)-2-(methylamino)ethyl]-4,6-dimethylphenol.

Molecular Properties

Compound Name2-[1-(2-hydroxy-3,5-dimethylphenyl)-2-(methylamino)ethyl]-4,6-dimethylphenol
PubChem CID18725086
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name2-[1-(2-hydroxy-3,5-dimethylphenyl)-2-(methylamino)ethyl]-4,6-dimethylphenol
SMILESCNCC(c1cc(C)cc(C)c1O)c1cc(C)cc(C)c1O
InChIInChI=1S/C19H25NO2/c1-11-6-13(3)18(21)15(8-11)17(10-20-5)16-9-12(2)7-14(4)19(16)22/h6-9,17,20-22H,10H2,1-5H3
InChIKeyNVWQNBMOLJBFMV-UHFFFAOYSA-N
XLogP3.68
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxy-3,5-dimethylphenyl)-2-(methylamino)ethyl]-4,6-dimethylphenol?
The IUPAC name of 2-[1-(2-hydroxy-3,5-dimethylphenyl)-2-(methylamino)ethyl]-4,6-dimethylphenol (CID 18725086) is 2-[1-(2-hydroxy-3,5-dimethylphenyl)-2-(methylamino)ethyl]-4,6-dimethylphenol.
What is the SMILES notation for 2-[1-(2-hydroxy-3,5-dimethylphenyl)-2-(methylamino)ethyl]-4,6-dimethylphenol?
The canonical SMILES for 2-[1-(2-hydroxy-3,5-dimethylphenyl)-2-(methylamino)ethyl]-4,6-dimethylphenol is CNCC(c1cc(C)cc(C)c1O)c1cc(C)cc(C)c1O.
What is the InChIKey of 2-[1-(2-hydroxy-3,5-dimethylphenyl)-2-(methylamino)ethyl]-4,6-dimethylphenol?
The InChIKey is NVWQNBMOLJBFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-11-6-13(3)18(21)15(8-11)17(10-20-5)16-9-12(2)7-14(4)19(16)22/h6-9,17,20-22H,10H2,1-5H3.
What are the key properties of 2-[1-(2-hydroxy-3,5-dimethylphenyl)-2-(methylamino)ethyl]-4,6-dimethylphenol?
2-[1-(2-hydroxy-3,5-dimethylphenyl)-2-(methylamino)ethyl]-4,6-dimethylphenol has a molecular weight of 299.41 g/mol, XLogP of 3.68, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxy-3,5-dimethylphenyl)-2-(methylamino)ethyl]-4,6-dimethylphenol is sourced from PubChem (CID 18725086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).