2,6-dimethyl-3-(oxan-4-ylmethylamino)phenol

C14H21NO2 — CID 62385987

IUPAC2,6-dimethyl-3-(oxan-4-ylmethylamino)phenol
SMILESCc1ccc(NCC2CCOCC2)c(C)c1O
InChIInChI=1S/C14H21NO2/c1-10-3-4-13(11(2)14(10)16)15-9-12-5-7-17-8-6-12/h3-4,12,15-16H,5-9H2,1-2H3
InChIKeyMHBQRBMZONKRSC-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.85
Rot. Bonds3

About 2,6-dimethyl-3-(oxan-4-ylmethylamino)phenol

2,6-dimethyl-3-(oxan-4-ylmethylamino)phenol (PubChem CID 62385987) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2,6-dimethyl-3-(oxan-4-ylmethylamino)phenol.

Molecular Properties

Compound Name2,6-dimethyl-3-(oxan-4-ylmethylamino)phenol
PubChem CID62385987
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2,6-dimethyl-3-(oxan-4-ylmethylamino)phenol
SMILESCc1ccc(NCC2CCOCC2)c(C)c1O
InChIInChI=1S/C14H21NO2/c1-10-3-4-13(11(2)14(10)16)15-9-12-5-7-17-8-6-12/h3-4,12,15-16H,5-9H2,1-2H3
InChIKeyMHBQRBMZONKRSC-UHFFFAOYSA-N
XLogP2.85
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-(oxan-4-ylmethylamino)phenol?
The IUPAC name of 2,6-dimethyl-3-(oxan-4-ylmethylamino)phenol (CID 62385987) is 2,6-dimethyl-3-(oxan-4-ylmethylamino)phenol.
What is the SMILES notation for 2,6-dimethyl-3-(oxan-4-ylmethylamino)phenol?
The canonical SMILES for 2,6-dimethyl-3-(oxan-4-ylmethylamino)phenol is Cc1ccc(NCC2CCOCC2)c(C)c1O.
What is the InChIKey of 2,6-dimethyl-3-(oxan-4-ylmethylamino)phenol?
The InChIKey is MHBQRBMZONKRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10-3-4-13(11(2)14(10)16)15-9-12-5-7-17-8-6-12/h3-4,12,15-16H,5-9H2,1-2H3.
What are the key properties of 2,6-dimethyl-3-(oxan-4-ylmethylamino)phenol?
2,6-dimethyl-3-(oxan-4-ylmethylamino)phenol has a molecular weight of 235.33 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-(oxan-4-ylmethylamino)phenol is sourced from PubChem (CID 62385987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).