3-[4-[(dimethylamino)methyl]oxan-4-yl]phenol

C14H21NO2 — CID 68576324

IUPAC3-[4-[(dimethylamino)methyl]oxan-4-yl]phenol
SMILESCN(C)CC1(c2cccc(O)c2)CCOCC1
InChIInChI=1S/C14H21NO2/c1-15(2)11-14(6-8-17-9-7-14)12-4-3-5-13(16)10-12/h3-5,10,16H,6-9,11H2,1-2H3
InChIKeyAXHPPYBBIPUZEB-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.00
Rot. Bonds3

About 3-[4-[(dimethylamino)methyl]oxan-4-yl]phenol

3-[4-[(dimethylamino)methyl]oxan-4-yl]phenol (PubChem CID 68576324) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-[4-[(dimethylamino)methyl]oxan-4-yl]phenol.

Molecular Properties

Compound Name3-[4-[(dimethylamino)methyl]oxan-4-yl]phenol
PubChem CID68576324
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name3-[4-[(dimethylamino)methyl]oxan-4-yl]phenol
SMILESCN(C)CC1(c2cccc(O)c2)CCOCC1
InChIInChI=1S/C14H21NO2/c1-15(2)11-14(6-8-17-9-7-14)12-4-3-5-13(16)10-12/h3-5,10,16H,6-9,11H2,1-2H3
InChIKeyAXHPPYBBIPUZEB-UHFFFAOYSA-N
XLogP2.00
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(dimethylamino)methyl]oxan-4-yl]phenol?
The IUPAC name of 3-[4-[(dimethylamino)methyl]oxan-4-yl]phenol (CID 68576324) is 3-[4-[(dimethylamino)methyl]oxan-4-yl]phenol.
What is the SMILES notation for 3-[4-[(dimethylamino)methyl]oxan-4-yl]phenol?
The canonical SMILES for 3-[4-[(dimethylamino)methyl]oxan-4-yl]phenol is CN(C)CC1(c2cccc(O)c2)CCOCC1.
What is the InChIKey of 3-[4-[(dimethylamino)methyl]oxan-4-yl]phenol?
The InChIKey is AXHPPYBBIPUZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-15(2)11-14(6-8-17-9-7-14)12-4-3-5-13(16)10-12/h3-5,10,16H,6-9,11H2,1-2H3.
What are the key properties of 3-[4-[(dimethylamino)methyl]oxan-4-yl]phenol?
3-[4-[(dimethylamino)methyl]oxan-4-yl]phenol has a molecular weight of 235.33 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(dimethylamino)methyl]oxan-4-yl]phenol is sourced from PubChem (CID 68576324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).