3-[(2,6-dimethylphenyl)methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride

C16H24ClNO — CID 68675770

IUPAC3-[(2,6-dimethylphenyl)methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride
SMILESCc1cccc(C)c1COC1CC2CCC(C1)N2.Cl
InChIInChI=1S/C16H23NO.ClH/c1-11-4-3-5-12(2)16(11)10-18-15-8-13-6-7-14(9-15)17-13;/h3-5,13-15,17H,6-10H2,1-2H3;1H
InChIKeyMVSBVKLVRZYIPB-UHFFFAOYSA-N
MW281.83 g/mol
LogP3.52
Rot. Bonds3

About 3-[(2,6-dimethylphenyl)methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride

3-[(2,6-dimethylphenyl)methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride (PubChem CID 68675770) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 3-[(2,6-dimethylphenyl)methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride.

Molecular Properties

Compound Name3-[(2,6-dimethylphenyl)methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride
PubChem CID68675770
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name3-[(2,6-dimethylphenyl)methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride
SMILESCc1cccc(C)c1COC1CC2CCC(C1)N2.Cl
InChIInChI=1S/C16H23NO.ClH/c1-11-4-3-5-12(2)16(11)10-18-15-8-13-6-7-14(9-15)17-13;/h3-5,13-15,17H,6-10H2,1-2H3;1H
InChIKeyMVSBVKLVRZYIPB-UHFFFAOYSA-N
XLogP3.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3,5-dimethylphenyl)methoxy]-8-azabicyclo[3.2.1]octane
CID 114199669
(1S,5R)-3-[[4-(fluoromethyl)phenyl]methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride
CID 68674572
(1S,5R)-3-[[2-(trifluoromethoxy)phenyl]methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride
CID 68674533
2-(8-azabicyclo[3.2.1]octan-3-yloxymethyl)aniline
CID 89164220
4-[(2,6-dimethylphenyl)methoxy]-2-methyloxolane
CID 21326645
(1S,5R)-3-[[2-(difluoromethyl)phenyl]methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride
CID 68676268
(1S,5R)-3-[(3,4-difluorophenyl)methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride
CID 68673996
tert-butyl 3-[(2-fluoro-6-methylphenyl)methoxy]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate;2-(chloromethyl)-1-fluoro-3-methylbenzene;(2-fluoro-6-methylphenyl)methanol;3-[(2-fluoro-6-methylphenyl)methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride
CID 159086318
4-[(2,6-dimethylphenyl)methoxy]-2-(methoxymethyl)oxolane
CID 21326654
4-[[(5S)-8-azabicyclo[3.2.1]octan-3-yl]oxymethyl]-5-cyclopropyl-3-(2-methyl-3-pyridinyl)-1,2-oxazole
CID 118421652
(1R,5S)-3-[(3,4-difluorophenyl)methoxy]-8-azabicyclo[3.2.1]octane
CID 68673997
N-[2-(2,6-dimethylphenoxy)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride
CID 120966598

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dimethylphenyl)methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride?
The IUPAC name of 3-[(2,6-dimethylphenyl)methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride (CID 68675770) is 3-[(2,6-dimethylphenyl)methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride.
What is the SMILES notation for 3-[(2,6-dimethylphenyl)methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride?
The canonical SMILES for 3-[(2,6-dimethylphenyl)methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride is Cc1cccc(C)c1COC1CC2CCC(C1)N2.Cl.
What is the InChIKey of 3-[(2,6-dimethylphenyl)methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride?
The InChIKey is MVSBVKLVRZYIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO.ClH/c1-11-4-3-5-12(2)16(11)10-18-15-8-13-6-7-14(9-15)17-13;/h3-5,13-15,17H,6-10H2,1-2H3;1H.
What are the key properties of 3-[(2,6-dimethylphenyl)methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride?
3-[(2,6-dimethylphenyl)methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride has a molecular weight of 281.83 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dimethylphenyl)methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride is sourced from PubChem (CID 68675770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).