2-[4-[(2,6-dimethylphenyl)methylamino]oxan-4-yl]ethanol

C16H25NO2 — CID 84590994

IUPAC2-[4-[(2,6-dimethylphenyl)methylamino]oxan-4-yl]ethanol
SMILESCc1cccc(C)c1CNC1(CCO)CCOCC1
InChIInChI=1S/C16H25NO2/c1-13-4-3-5-14(2)15(13)12-17-16(6-9-18)7-10-19-11-8-16/h3-5,17-18H,6-12H2,1-2H3
InChIKeyVPHYZTMHHILHIX-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.32
Rot. Bonds5

About 2-[4-[(2,6-dimethylphenyl)methylamino]oxan-4-yl]ethanol

2-[4-[(2,6-dimethylphenyl)methylamino]oxan-4-yl]ethanol (PubChem CID 84590994) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[4-[(2,6-dimethylphenyl)methylamino]oxan-4-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(2,6-dimethylphenyl)methylamino]oxan-4-yl]ethanol
PubChem CID84590994
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-[4-[(2,6-dimethylphenyl)methylamino]oxan-4-yl]ethanol
SMILESCc1cccc(C)c1CNC1(CCO)CCOCC1
InChIInChI=1S/C16H25NO2/c1-13-4-3-5-14(2)15(13)12-17-16(6-9-18)7-10-19-11-8-16/h3-5,17-18H,6-12H2,1-2H3
InChIKeyVPHYZTMHHILHIX-UHFFFAOYSA-N
XLogP2.32
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,6-dimethylphenyl)methylamino]oxan-4-yl]ethanol?
The IUPAC name of 2-[4-[(2,6-dimethylphenyl)methylamino]oxan-4-yl]ethanol (CID 84590994) is 2-[4-[(2,6-dimethylphenyl)methylamino]oxan-4-yl]ethanol.
What is the SMILES notation for 2-[4-[(2,6-dimethylphenyl)methylamino]oxan-4-yl]ethanol?
The canonical SMILES for 2-[4-[(2,6-dimethylphenyl)methylamino]oxan-4-yl]ethanol is Cc1cccc(C)c1CNC1(CCO)CCOCC1.
What is the InChIKey of 2-[4-[(2,6-dimethylphenyl)methylamino]oxan-4-yl]ethanol?
The InChIKey is VPHYZTMHHILHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-13-4-3-5-14(2)15(13)12-17-16(6-9-18)7-10-19-11-8-16/h3-5,17-18H,6-12H2,1-2H3.
What are the key properties of 2-[4-[(2,6-dimethylphenyl)methylamino]oxan-4-yl]ethanol?
2-[4-[(2,6-dimethylphenyl)methylamino]oxan-4-yl]ethanol has a molecular weight of 263.38 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,6-dimethylphenyl)methylamino]oxan-4-yl]ethanol is sourced from PubChem (CID 84590994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).