1-[4-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]-N-(pyridin-2-ylmethyl)methanamine

C20H25N3O — CID 56721325

IUPAC1-[4-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]-N-(pyridin-2-ylmethyl)methanamine
SMILESc1ccc(CNCc2ccc(OC34CCCN(CC3)C4)cc2)nc1
InChIInChI=1S/C20H25N3O/c1-2-11-22-18(4-1)15-21-14-17-5-7-19(8-6-17)24-20-9-3-12-23(16-20)13-10-20/h1-2,4-8,11,21H,3,9-10,12-16H2
InChIKeyBIGBBHXWNMGYQA-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.99
Rot. Bonds6

About 1-[4-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]-N-(pyridin-2-ylmethyl)methanamine

1-[4-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]-N-(pyridin-2-ylmethyl)methanamine (PubChem CID 56721325) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-[4-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]-N-(pyridin-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[4-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]-N-(pyridin-2-ylmethyl)methanamine
PubChem CID56721325
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name1-[4-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]-N-(pyridin-2-ylmethyl)methanamine
SMILESc1ccc(CNCc2ccc(OC34CCCN(CC3)C4)cc2)nc1
InChIInChI=1S/C20H25N3O/c1-2-11-22-18(4-1)15-21-14-17-5-7-19(8-6-17)24-20-9-3-12-23(16-20)13-10-20/h1-2,4-8,11,21H,3,9-10,12-16H2
InChIKeyBIGBBHXWNMGYQA-UHFFFAOYSA-N
XLogP2.99
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]-N-(pyridin-2-ylmethyl)methanamine?
The IUPAC name of 1-[4-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]-N-(pyridin-2-ylmethyl)methanamine (CID 56721325) is 1-[4-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]-N-(pyridin-2-ylmethyl)methanamine.
What is the SMILES notation for 1-[4-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]-N-(pyridin-2-ylmethyl)methanamine?
The canonical SMILES for 1-[4-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]-N-(pyridin-2-ylmethyl)methanamine is c1ccc(CNCc2ccc(OC34CCCN(CC3)C4)cc2)nc1.
What is the InChIKey of 1-[4-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]-N-(pyridin-2-ylmethyl)methanamine?
The InChIKey is BIGBBHXWNMGYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-2-11-22-18(4-1)15-21-14-17-5-7-19(8-6-17)24-20-9-3-12-23(16-20)13-10-20/h1-2,4-8,11,21H,3,9-10,12-16H2.
What are the key properties of 1-[4-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]-N-(pyridin-2-ylmethyl)methanamine?
1-[4-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]-N-(pyridin-2-ylmethyl)methanamine has a molecular weight of 323.44 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]-N-(pyridin-2-ylmethyl)methanamine is sourced from PubChem (CID 56721325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).