N-(2-methoxyphenyl)-2-(3-methoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine

C21H26N2O2 — CID 67835831

IUPACN-(2-methoxyphenyl)-2-(3-methoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESCOc1cccc(C2C(Nc3ccccc3OC)C3CCN2CC3)c1
InChIInChI=1S/C21H26N2O2/c1-24-17-7-5-6-16(14-17)21-20(15-10-12-23(21)13-11-15)22-18-8-3-4-9-19(18)25-2/h3-9,14-15,20-22H,10-13H2,1-2H3
InChIKeyNVMGODBRBCBECO-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.95
Rot. Bonds5

About N-(2-methoxyphenyl)-2-(3-methoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine

N-(2-methoxyphenyl)-2-(3-methoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 67835831) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-(3-methoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-(3-methoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID67835831
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-(2-methoxyphenyl)-2-(3-methoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESCOc1cccc(C2C(Nc3ccccc3OC)C3CCN2CC3)c1
InChIInChI=1S/C21H26N2O2/c1-24-17-7-5-6-16(14-17)21-20(15-10-12-23(21)13-11-15)22-18-8-3-4-9-19(18)25-2/h3-9,14-15,20-22H,10-13H2,1-2H3
InChIKeyNVMGODBRBCBECO-UHFFFAOYSA-N
XLogP3.95
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-(3-methoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of N-(2-methoxyphenyl)-2-(3-methoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine (CID 67835831) is N-(2-methoxyphenyl)-2-(3-methoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for N-(2-methoxyphenyl)-2-(3-methoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for N-(2-methoxyphenyl)-2-(3-methoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine is COc1cccc(C2C(Nc3ccccc3OC)C3CCN2CC3)c1.
What is the InChIKey of N-(2-methoxyphenyl)-2-(3-methoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is NVMGODBRBCBECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-24-17-7-5-6-16(14-17)21-20(15-10-12-23(21)13-11-15)22-18-8-3-4-9-19(18)25-2/h3-9,14-15,20-22H,10-13H2,1-2H3.
What are the key properties of N-(2-methoxyphenyl)-2-(3-methoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine?
N-(2-methoxyphenyl)-2-(3-methoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 338.45 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-(3-methoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 67835831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).