[4-[(2-methyl-2-azabicyclo[2.2.2]octan-5-yl)oxy]phenyl]methanamine

C15H22N2O — CID 117050624

IUPAC[4-[(2-methyl-2-azabicyclo[2.2.2]octan-5-yl)oxy]phenyl]methanamine
SMILESCN1CC2CCC1CC2Oc1ccc(CN)cc1
InChIInChI=1S/C15H22N2O/c1-17-10-12-4-5-13(17)8-15(12)18-14-6-2-11(9-16)3-7-14/h2-3,6-7,12-13,15H,4-5,8-10,16H2,1H3
InChIKeyJVZVEBDELVIIOI-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.01
Rot. Bonds3

About [4-[(2-methyl-2-azabicyclo[2.2.2]octan-5-yl)oxy]phenyl]methanamine

[4-[(2-methyl-2-azabicyclo[2.2.2]octan-5-yl)oxy]phenyl]methanamine (PubChem CID 117050624) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is [4-[(2-methyl-2-azabicyclo[2.2.2]octan-5-yl)oxy]phenyl]methanamine.

Molecular Properties

Compound Name[4-[(2-methyl-2-azabicyclo[2.2.2]octan-5-yl)oxy]phenyl]methanamine
PubChem CID117050624
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name[4-[(2-methyl-2-azabicyclo[2.2.2]octan-5-yl)oxy]phenyl]methanamine
SMILESCN1CC2CCC1CC2Oc1ccc(CN)cc1
InChIInChI=1S/C15H22N2O/c1-17-10-12-4-5-13(17)8-15(12)18-14-6-2-11(9-16)3-7-14/h2-3,6-7,12-13,15H,4-5,8-10,16H2,1H3
InChIKeyJVZVEBDELVIIOI-UHFFFAOYSA-N
XLogP2.01
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[(2-methyl-2-azabicyclo[2.2.2]octan-5-yl)oxy]phenyl]methanamine?
The IUPAC name of [4-[(2-methyl-2-azabicyclo[2.2.2]octan-5-yl)oxy]phenyl]methanamine (CID 117050624) is [4-[(2-methyl-2-azabicyclo[2.2.2]octan-5-yl)oxy]phenyl]methanamine.
What is the SMILES notation for [4-[(2-methyl-2-azabicyclo[2.2.2]octan-5-yl)oxy]phenyl]methanamine?
The canonical SMILES for [4-[(2-methyl-2-azabicyclo[2.2.2]octan-5-yl)oxy]phenyl]methanamine is CN1CC2CCC1CC2Oc1ccc(CN)cc1.
What is the InChIKey of [4-[(2-methyl-2-azabicyclo[2.2.2]octan-5-yl)oxy]phenyl]methanamine?
The InChIKey is JVZVEBDELVIIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-17-10-12-4-5-13(17)8-15(12)18-14-6-2-11(9-16)3-7-14/h2-3,6-7,12-13,15H,4-5,8-10,16H2,1H3.
What are the key properties of [4-[(2-methyl-2-azabicyclo[2.2.2]octan-5-yl)oxy]phenyl]methanamine?
[4-[(2-methyl-2-azabicyclo[2.2.2]octan-5-yl)oxy]phenyl]methanamine has a molecular weight of 246.35 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-methyl-2-azabicyclo[2.2.2]octan-5-yl)oxy]phenyl]methanamine is sourced from PubChem (CID 117050624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).