1-(3,4-dichlorophenyl)-7-(methoxymethoxy)-8-azabicyclo[3.2.1]octane

C15H19Cl2NO2 — CID 57243569

IUPAC1-(3,4-dichlorophenyl)-7-(methoxymethoxy)-8-azabicyclo[3.2.1]octane
SMILESCOCOC1CC2CCCC1(c1ccc(Cl)c(Cl)c1)N2
InChIInChI=1S/C15H19Cl2NO2/c1-19-9-20-14-8-11-3-2-6-15(14,18-11)10-4-5-12(16)13(17)7-10/h4-5,7,11,14,18H,2-3,6,8-9H2,1H3
InChIKeyNAEOEBZDGYTRDO-UHFFFAOYSA-N
MW316.23 g/mol
LogP3.72
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-7-(methoxymethoxy)-8-azabicyclo[3.2.1]octane

1-(3,4-dichlorophenyl)-7-(methoxymethoxy)-8-azabicyclo[3.2.1]octane (PubChem CID 57243569) has the molecular formula C15H19Cl2NO2 and a molecular weight of 316.23 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-7-(methoxymethoxy)-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-7-(methoxymethoxy)-8-azabicyclo[3.2.1]octane
PubChem CID57243569
Molecular FormulaC15H19Cl2NO2
Molecular Weight316.23 g/mol
Exact Mass315.08
IUPAC Name1-(3,4-dichlorophenyl)-7-(methoxymethoxy)-8-azabicyclo[3.2.1]octane
SMILESCOCOC1CC2CCCC1(c1ccc(Cl)c(Cl)c1)N2
InChIInChI=1S/C15H19Cl2NO2/c1-19-9-20-14-8-11-3-2-6-15(14,18-11)10-4-5-12(16)13(17)7-10/h4-5,7,11,14,18H,2-3,6,8-9H2,1H3
InChIKeyNAEOEBZDGYTRDO-UHFFFAOYSA-N
XLogP3.72
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-cyclopropyl-2-(3,4-dichlorophenyl)azepane
CID 79116469
3-(3,4-dichlorophenyl)-3-fluorocyclohexan-1-amine
CID 112567366
(3S)-3-(3,4-dichlorophenyl)-3-(methoxymethyl)piperidine
CID 46245101
(1R,4R,5R)-5-(3,4-dichlorophenyl)-4-(methoxymethyl)-4-methyl-2-azabicyclo[3.2.1]octane
CID 173487470
1-(3,4-dichlorophenyl)-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429754
[(1S,2R)-1-(3,4-dichlorophenyl)-2-methylcyclohexyl]methanamine;[(1R,2S)-1-(3,4-dichlorophenyl)-2-methylcyclohexyl]methanamine;dihydrochloride
CID 161074997
cis-(1R,3S)-3-(3,4-dichlorophenyl)-3-[(dimethylamino)methyl]cyclohexan-1-ol;cis-(1S,3R)-3-(3,4-dichlorophenyl)-3-[(dimethylamino)methyl]cyclohexan-1-ol
CID 157186066
1-(3,4-dichlorophenyl)-3-ethylcyclopentan-1-amine
CID 64514572
(1R,6R)-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-azabicyclo[4.1.0]heptane;hydrochloride
CID 69077027
trans-(1S,2R)-2-(3,4-dichlorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol
CID 58954805
1-(4-chloro-3-methoxyphenyl)-2,3-dimethylcyclohexan-1-amine
CID 79698794
1-[(1R,2S)-1-(3,4-dichlorophenyl)-2-methylcyclohexyl]-N,N-dimethylmethanamine
CID 58954957

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-7-(methoxymethoxy)-8-azabicyclo[3.2.1]octane?
The IUPAC name of 1-(3,4-dichlorophenyl)-7-(methoxymethoxy)-8-azabicyclo[3.2.1]octane (CID 57243569) is 1-(3,4-dichlorophenyl)-7-(methoxymethoxy)-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-7-(methoxymethoxy)-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 1-(3,4-dichlorophenyl)-7-(methoxymethoxy)-8-azabicyclo[3.2.1]octane is COCOC1CC2CCCC1(c1ccc(Cl)c(Cl)c1)N2.
What is the InChIKey of 1-(3,4-dichlorophenyl)-7-(methoxymethoxy)-8-azabicyclo[3.2.1]octane?
The InChIKey is NAEOEBZDGYTRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO2/c1-19-9-20-14-8-11-3-2-6-15(14,18-11)10-4-5-12(16)13(17)7-10/h4-5,7,11,14,18H,2-3,6,8-9H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-7-(methoxymethoxy)-8-azabicyclo[3.2.1]octane?
1-(3,4-dichlorophenyl)-7-(methoxymethoxy)-8-azabicyclo[3.2.1]octane has a molecular weight of 316.23 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-7-(methoxymethoxy)-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 57243569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).