3-[(3-chlorophenyl)-(4-chlorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane

C21H23Cl2NO — CID 101101023

IUPAC3-[(3-chlorophenyl)-(4-chlorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane
SMILESCN1C2CCC1CC(OC(c1ccc(Cl)cc1)c1cccc(Cl)c1)C2
InChIInChI=1S/C21H23Cl2NO/c1-24-18-9-10-19(24)13-20(12-18)25-21(14-5-7-16(22)8-6-14)15-3-2-4-17(23)11-15/h2-8,11,18-21H,9-10,12-13H2,1H3
InChIKeyYYGLOMNQINXGRR-UHFFFAOYSA-N
MW376.33 g/mol
LogP5.72
Rot. Bonds4

About 3-[(3-chlorophenyl)-(4-chlorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane

3-[(3-chlorophenyl)-(4-chlorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane (PubChem CID 101101023) has the molecular formula C21H23Cl2NO and a molecular weight of 376.33 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)-(4-chlorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-[(3-chlorophenyl)-(4-chlorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane
PubChem CID101101023
Molecular FormulaC21H23Cl2NO
Molecular Weight376.33 g/mol
Exact Mass375.12
IUPAC Name3-[(3-chlorophenyl)-(4-chlorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane
SMILESCN1C2CCC1CC(OC(c1ccc(Cl)cc1)c1cccc(Cl)c1)C2
InChIInChI=1S/C21H23Cl2NO/c1-24-18-9-10-19(24)13-20(12-18)25-21(14-5-7-16(22)8-6-14)15-3-2-4-17(23)11-15/h2-8,11,18-21H,9-10,12-13H2,1H3
InChIKeyYYGLOMNQINXGRR-UHFFFAOYSA-N
XLogP5.72
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.33
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[(3-chlorophenyl)-(4-chlorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane with MolForge

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Related Compounds

(1R,5S)-3-[bis(4-methylphenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane
CID 10088338
(1R,5R)-3-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octane;methanesulfonic acid
CID 8584
(1S,5R)-3-[(4-ethylphenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane
CID 10449632
(1S,5R)-3-[bis(4-fluorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane;hydrochloride
CID 24978533
4-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy-phenylmethyl]benzonitrile
CID 10336882
8-benzyl-3-[bis(4-chlorophenyl)methoxy]-8-azabicyclo[3.2.1]octane
CID 12068491
8-benzyl-3-[bis(4-chlorophenyl)methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride
CID 45265393
(1R,5S)-3-[bis(4-chlorophenyl)methoxy]-8-(3-phenylpropyl)-8-azabicyclo[3.2.1]octane
CID 10576691
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(4-chlorophenyl)-2-phenylacetate
CID 3057560
4-[(R)-(4-chlorophenyl)-phenylmethoxy]piperidine
CID 93492477
ethyl 3-[4-[(3-chlorophenyl)-phenylmethoxy]piperidin-1-yl]propanoate
CID 10069658
3-[(4-chlorophenyl)-phenylmethoxy]azetidine
CID 131865154

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)-(4-chlorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-[(3-chlorophenyl)-(4-chlorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane (CID 101101023) is 3-[(3-chlorophenyl)-(4-chlorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-[(3-chlorophenyl)-(4-chlorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-[(3-chlorophenyl)-(4-chlorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane is CN1C2CCC1CC(OC(c1ccc(Cl)cc1)c1cccc(Cl)c1)C2.
What is the InChIKey of 3-[(3-chlorophenyl)-(4-chlorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane?
The InChIKey is YYGLOMNQINXGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2NO/c1-24-18-9-10-19(24)13-20(12-18)25-21(14-5-7-16(22)8-6-14)15-3-2-4-17(23)11-15/h2-8,11,18-21H,9-10,12-13H2,1H3.
What are the key properties of 3-[(3-chlorophenyl)-(4-chlorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane?
3-[(3-chlorophenyl)-(4-chlorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane has a molecular weight of 376.33 g/mol, XLogP of 5.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)-(4-chlorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 101101023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).