N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-1-azabicyclo[2.2.2]octan-3-amine

C18H20Cl2N2O — CID 17158992

IUPACN-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-1-azabicyclo[2.2.2]octan-3-amine
SMILESClc1cc(Cl)cc(-c2ccc(CNC3CN4CCC3CC4)o2)c1
InChIInChI=1S/C18H20Cl2N2O/c19-14-7-13(8-15(20)9-14)18-2-1-16(23-18)10-21-17-11-22-5-3-12(17)4-6-22/h1-2,7-9,12,17,21H,3-6,10-11H2
InChIKeyWBKAUTAUQCQLPS-UHFFFAOYSA-N
MW351.28 g/mol
LogP4.44
Rot. Bonds4

About N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-1-azabicyclo[2.2.2]octan-3-amine

N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 17158992) has the molecular formula C18H20Cl2N2O and a molecular weight of 351.28 g/mol. Its IUPAC name is N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound NameN-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID17158992
Molecular FormulaC18H20Cl2N2O
Molecular Weight351.28 g/mol
Exact Mass350.10
IUPAC NameN-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-1-azabicyclo[2.2.2]octan-3-amine
SMILESClc1cc(Cl)cc(-c2ccc(CNC3CN4CCC3CC4)o2)c1
InChIInChI=1S/C18H20Cl2N2O/c19-14-7-13(8-15(20)9-14)18-2-1-16(23-18)10-21-17-11-22-5-3-12(17)4-6-22/h1-2,7-9,12,17,21H,3-6,10-11H2
InChIKeyWBKAUTAUQCQLPS-UHFFFAOYSA-N
XLogP4.44
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.28
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-1-azabicyclo[2.2.2]octan-3-amine with MolForge

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Related Compounds

N-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 17159447
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43763493
N-[(3,4-dichlorophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride
CID 17158967
N-[(2-chlorophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride
CID 17158962
N-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 17158941
N-[(3-bromo-4-chlorophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 83236019
N-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride
CID 17158940
N-[[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]methyl]cyclopropanamine
CID 107577110
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]cycloheptanamine;hydrochloride
CID 17332202
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-chlorophenyl)furan-2-carboxamide
CID 4602961
N-[(2-iodophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 142748266
N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]prop-2-en-1-amine
CID 4723665

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-1-azabicyclo[2.2.2]octan-3-amine (CID 17158992) is N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-1-azabicyclo[2.2.2]octan-3-amine is Clc1cc(Cl)cc(-c2ccc(CNC3CN4CCC3CC4)o2)c1.
What is the InChIKey of N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is WBKAUTAUQCQLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O/c19-14-7-13(8-15(20)9-14)18-2-1-16(23-18)10-21-17-11-22-5-3-12(17)4-6-22/h1-2,7-9,12,17,21H,3-6,10-11H2.
What are the key properties of N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-1-azabicyclo[2.2.2]octan-3-amine?
N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 351.28 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 17158992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).