2-[(2,5,5-trimethyl-1,3-oxazinan-2-yl)methyl]phenol

C14H21NO2 — CID 117226881

IUPAC2-[(2,5,5-trimethyl-1,3-oxazinan-2-yl)methyl]phenol
SMILESCC1(C)CNC(C)(Cc2ccccc2O)OC1
InChIInChI=1S/C14H21NO2/c1-13(2)9-15-14(3,17-10-13)8-11-6-4-5-7-12(11)16/h4-7,15-16H,8-10H2,1-3H3
InChIKeyMSDLIMVBPHCCEF-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.30
Rot. Bonds2

About 2-[(2,5,5-trimethyl-1,3-oxazinan-2-yl)methyl]phenol

2-[(2,5,5-trimethyl-1,3-oxazinan-2-yl)methyl]phenol (PubChem CID 117226881) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[(2,5,5-trimethyl-1,3-oxazinan-2-yl)methyl]phenol.

Molecular Properties

Compound Name2-[(2,5,5-trimethyl-1,3-oxazinan-2-yl)methyl]phenol
PubChem CID117226881
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-[(2,5,5-trimethyl-1,3-oxazinan-2-yl)methyl]phenol
SMILESCC1(C)CNC(C)(Cc2ccccc2O)OC1
InChIInChI=1S/C14H21NO2/c1-13(2)9-15-14(3,17-10-13)8-11-6-4-5-7-12(11)16/h4-7,15-16H,8-10H2,1-3H3
InChIKeyMSDLIMVBPHCCEF-UHFFFAOYSA-N
XLogP2.30
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,5,5-trimethyl-1,3-oxazinan-2-yl)methyl]phenol?
The IUPAC name of 2-[(2,5,5-trimethyl-1,3-oxazinan-2-yl)methyl]phenol (CID 117226881) is 2-[(2,5,5-trimethyl-1,3-oxazinan-2-yl)methyl]phenol.
What is the SMILES notation for 2-[(2,5,5-trimethyl-1,3-oxazinan-2-yl)methyl]phenol?
The canonical SMILES for 2-[(2,5,5-trimethyl-1,3-oxazinan-2-yl)methyl]phenol is CC1(C)CNC(C)(Cc2ccccc2O)OC1.
What is the InChIKey of 2-[(2,5,5-trimethyl-1,3-oxazinan-2-yl)methyl]phenol?
The InChIKey is MSDLIMVBPHCCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-13(2)9-15-14(3,17-10-13)8-11-6-4-5-7-12(11)16/h4-7,15-16H,8-10H2,1-3H3.
What are the key properties of 2-[(2,5,5-trimethyl-1,3-oxazinan-2-yl)methyl]phenol?
2-[(2,5,5-trimethyl-1,3-oxazinan-2-yl)methyl]phenol has a molecular weight of 235.33 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5,5-trimethyl-1,3-oxazinan-2-yl)methyl]phenol is sourced from PubChem (CID 117226881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).