[3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]phenyl]methanamine

C15H22N2O — CID 68709089

IUPAC[3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]phenyl]methanamine
SMILESCN1C2CCC1CC(Oc1cccc(CN)c1)C2
InChIInChI=1S/C15H22N2O/c1-17-12-5-6-13(17)9-15(8-12)18-14-4-2-3-11(7-14)10-16/h2-4,7,12-13,15H,5-6,8-10,16H2,1H3
InChIKeyVNEUTDVWEUAGTD-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.15
Rot. Bonds3

About [3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]phenyl]methanamine

[3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]phenyl]methanamine (PubChem CID 68709089) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is [3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]phenyl]methanamine
PubChem CID68709089
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name[3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]phenyl]methanamine
SMILESCN1C2CCC1CC(Oc1cccc(CN)c1)C2
InChIInChI=1S/C15H22N2O/c1-17-12-5-6-13(17)9-15(8-12)18-14-4-2-3-11(7-14)10-16/h2-4,7,12-13,15H,5-6,8-10,16H2,1H3
InChIKeyVNEUTDVWEUAGTD-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]phenyl]methanamine?
The IUPAC name of [3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]phenyl]methanamine (CID 68709089) is [3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]phenyl]methanamine.
What is the SMILES notation for [3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]phenyl]methanamine?
The canonical SMILES for [3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]phenyl]methanamine is CN1C2CCC1CC(Oc1cccc(CN)c1)C2.
What is the InChIKey of [3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]phenyl]methanamine?
The InChIKey is VNEUTDVWEUAGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-17-12-5-6-13(17)9-15(8-12)18-14-4-2-3-11(7-14)10-16/h2-4,7,12-13,15H,5-6,8-10,16H2,1H3.
What are the key properties of [3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]phenyl]methanamine?
[3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]phenyl]methanamine has a molecular weight of 246.35 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]phenyl]methanamine is sourced from PubChem (CID 68709089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).