4-[[(2,4,6-trimethylphenyl)methylamino]methyl]oxan-4-ol

C16H25NO2 — CID 78928966

IUPAC4-[[(2,4,6-trimethylphenyl)methylamino]methyl]oxan-4-ol
SMILESCc1cc(C)c(CNCC2(O)CCOCC2)c(C)c1
InChIInChI=1S/C16H25NO2/c1-12-8-13(2)15(14(3)9-12)10-17-11-16(18)4-6-19-7-5-16/h8-9,17-18H,4-7,10-11H2,1-3H3
InChIKeyGKMYADMLQYYEIY-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.24
Rot. Bonds4

About 4-[[(2,4,6-trimethylphenyl)methylamino]methyl]oxan-4-ol

4-[[(2,4,6-trimethylphenyl)methylamino]methyl]oxan-4-ol (PubChem CID 78928966) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-[[(2,4,6-trimethylphenyl)methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(2,4,6-trimethylphenyl)methylamino]methyl]oxan-4-ol
PubChem CID78928966
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name4-[[(2,4,6-trimethylphenyl)methylamino]methyl]oxan-4-ol
SMILESCc1cc(C)c(CNCC2(O)CCOCC2)c(C)c1
InChIInChI=1S/C16H25NO2/c1-12-8-13(2)15(14(3)9-12)10-17-11-16(18)4-6-19-7-5-16/h8-9,17-18H,4-7,10-11H2,1-3H3
InChIKeyGKMYADMLQYYEIY-UHFFFAOYSA-N
XLogP2.24
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2,4,6-trimethylphenyl)methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(2,4,6-trimethylphenyl)methylamino]methyl]oxan-4-ol (CID 78928966) is 4-[[(2,4,6-trimethylphenyl)methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(2,4,6-trimethylphenyl)methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(2,4,6-trimethylphenyl)methylamino]methyl]oxan-4-ol is Cc1cc(C)c(CNCC2(O)CCOCC2)c(C)c1.
What is the InChIKey of 4-[[(2,4,6-trimethylphenyl)methylamino]methyl]oxan-4-ol?
The InChIKey is GKMYADMLQYYEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12-8-13(2)15(14(3)9-12)10-17-11-16(18)4-6-19-7-5-16/h8-9,17-18H,4-7,10-11H2,1-3H3.
What are the key properties of 4-[[(2,4,6-trimethylphenyl)methylamino]methyl]oxan-4-ol?
4-[[(2,4,6-trimethylphenyl)methylamino]methyl]oxan-4-ol has a molecular weight of 263.38 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2,4,6-trimethylphenyl)methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 78928966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).