2,6-dimethyl-4-[(7-oxabicyclo[2.2.1]heptan-2-ylamino)methyl]phenol

C15H21NO2 — CID 80714508

IUPAC2,6-dimethyl-4-[(7-oxabicyclo[2.2.1]heptan-2-ylamino)methyl]phenol
SMILESCc1cc(CNC2CC3CCC2O3)cc(C)c1O
InChIInChI=1S/C15H21NO2/c1-9-5-11(6-10(2)15(9)17)8-16-13-7-12-3-4-14(13)18-12/h5-6,12-14,16-17H,3-4,7-8H2,1-2H3
InChIKeyUFDWTDCBQPFNEQ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.42
Rot. Bonds3

About 2,6-dimethyl-4-[(7-oxabicyclo[2.2.1]heptan-2-ylamino)methyl]phenol

2,6-dimethyl-4-[(7-oxabicyclo[2.2.1]heptan-2-ylamino)methyl]phenol (PubChem CID 80714508) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2,6-dimethyl-4-[(7-oxabicyclo[2.2.1]heptan-2-ylamino)methyl]phenol.

Molecular Properties

Compound Name2,6-dimethyl-4-[(7-oxabicyclo[2.2.1]heptan-2-ylamino)methyl]phenol
PubChem CID80714508
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2,6-dimethyl-4-[(7-oxabicyclo[2.2.1]heptan-2-ylamino)methyl]phenol
SMILESCc1cc(CNC2CC3CCC2O3)cc(C)c1O
InChIInChI=1S/C15H21NO2/c1-9-5-11(6-10(2)15(9)17)8-16-13-7-12-3-4-14(13)18-12/h5-6,12-14,16-17H,3-4,7-8H2,1-2H3
InChIKeyUFDWTDCBQPFNEQ-UHFFFAOYSA-N
XLogP2.42
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluoro-3-methylphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80602681
N-[(3,4,5-trifluorophenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80602479
N-[(4-chloro-2-methylphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 104854320
2,4-dichloro-6-[(7-oxabicyclo[2.2.1]heptan-2-ylamino)methyl]phenol
CID 80602195
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 115282910
N-[4-[(7-oxabicyclo[2.2.1]heptan-2-ylamino)methyl]phenyl]acetamide
CID 80602105
4-[[(2-hydroxycyclohexyl)amino]methyl]-2,6-dimethylphenol
CID 62365273
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80601705
methyl 4-[(7-oxabicyclo[2.2.1]heptan-2-ylamino)methyl]benzoate
CID 80715814
N-[(1-ethylpyrrol-3-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80714455
6-[(7-oxabicyclo[2.2.1]heptan-2-ylamino)methyl]-1,3-benzodioxol-5-ol
CID 80601518
N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80715688

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[(7-oxabicyclo[2.2.1]heptan-2-ylamino)methyl]phenol?
The IUPAC name of 2,6-dimethyl-4-[(7-oxabicyclo[2.2.1]heptan-2-ylamino)methyl]phenol (CID 80714508) is 2,6-dimethyl-4-[(7-oxabicyclo[2.2.1]heptan-2-ylamino)methyl]phenol.
What is the SMILES notation for 2,6-dimethyl-4-[(7-oxabicyclo[2.2.1]heptan-2-ylamino)methyl]phenol?
The canonical SMILES for 2,6-dimethyl-4-[(7-oxabicyclo[2.2.1]heptan-2-ylamino)methyl]phenol is Cc1cc(CNC2CC3CCC2O3)cc(C)c1O.
What is the InChIKey of 2,6-dimethyl-4-[(7-oxabicyclo[2.2.1]heptan-2-ylamino)methyl]phenol?
The InChIKey is UFDWTDCBQPFNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-9-5-11(6-10(2)15(9)17)8-16-13-7-12-3-4-14(13)18-12/h5-6,12-14,16-17H,3-4,7-8H2,1-2H3.
What are the key properties of 2,6-dimethyl-4-[(7-oxabicyclo[2.2.1]heptan-2-ylamino)methyl]phenol?
2,6-dimethyl-4-[(7-oxabicyclo[2.2.1]heptan-2-ylamino)methyl]phenol has a molecular weight of 247.34 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[(7-oxabicyclo[2.2.1]heptan-2-ylamino)methyl]phenol is sourced from PubChem (CID 80714508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).