N-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine

C15H20Cl2N2O — CID 17158941

IUPACN-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
SMILESCOc1c(Cl)cc(Cl)cc1CNC1CN2CCC1CC2
InChIInChI=1S/C15H20Cl2N2O/c1-20-15-11(6-12(16)7-13(15)17)8-18-14-9-19-4-2-10(14)3-5-19/h6-7,10,14,18H,2-5,8-9H2,1H3
InChIKeyCCXZAMHLUZPBQJ-UHFFFAOYSA-N
MW315.24 g/mol
LogP3.19
Rot. Bonds4

About N-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine

N-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 17158941) has the molecular formula C15H20Cl2N2O and a molecular weight of 315.24 g/mol. Its IUPAC name is N-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound NameN-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID17158941
Molecular FormulaC15H20Cl2N2O
Molecular Weight315.24 g/mol
Exact Mass314.10
IUPAC NameN-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
SMILESCOc1c(Cl)cc(Cl)cc1CNC1CN2CCC1CC2
InChIInChI=1S/C15H20Cl2N2O/c1-20-15-11(6-12(16)7-13(15)17)8-18-14-9-19-4-2-10(14)3-5-19/h6-7,10,14,18H,2-5,8-9H2,1H3
InChIKeyCCXZAMHLUZPBQJ-UHFFFAOYSA-N
XLogP3.19
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride
CID 17158940
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 17158943
N-[(3,5-dichloro-2-methoxyphenyl)methyl]cyclobutanamine
CID 82500447
N-[(2-chlorophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride
CID 17158962
N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 17158925
1-(3,5-dichloro-2-methoxyphenyl)-N-methoxymethanamine
CID 117344115
N-[(3,4-dichlorophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride
CID 17158967
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43552190
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 17158901
N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride
CID 17158805
N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 17158992
N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 17158933

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of N-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine (CID 17158941) is N-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for N-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for N-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine is COc1c(Cl)cc(Cl)cc1CNC1CN2CCC1CC2.
What is the InChIKey of N-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is CCXZAMHLUZPBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O/c1-20-15-11(6-12(16)7-13(15)17)8-18-14-9-19-4-2-10(14)3-5-19/h6-7,10,14,18H,2-5,8-9H2,1H3.
What are the key properties of N-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine?
N-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 315.24 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 17158941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).