1,4-diazabicyclo[2.2.2]octan-2-yl-(2-ethoxyphenyl)methanamine

C15H23N3O — CID 79974142

IUPAC1,4-diazabicyclo[2.2.2]octan-2-yl-(2-ethoxyphenyl)methanamine
SMILESCCOc1ccccc1C(N)C1CN2CCN1CC2
InChIInChI=1S/C15H23N3O/c1-2-19-14-6-4-3-5-12(14)15(16)13-11-17-7-9-18(13)10-8-17/h3-6,13,15H,2,7-11,16H2,1H3
InChIKeyFYIZGMARLMMSKD-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.08
Rot. Bonds4

About 1,4-diazabicyclo[2.2.2]octan-2-yl-(2-ethoxyphenyl)methanamine

1,4-diazabicyclo[2.2.2]octan-2-yl-(2-ethoxyphenyl)methanamine (PubChem CID 79974142) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1,4-diazabicyclo[2.2.2]octan-2-yl-(2-ethoxyphenyl)methanamine.

Molecular Properties

Compound Name1,4-diazabicyclo[2.2.2]octan-2-yl-(2-ethoxyphenyl)methanamine
PubChem CID79974142
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1,4-diazabicyclo[2.2.2]octan-2-yl-(2-ethoxyphenyl)methanamine
SMILESCCOc1ccccc1C(N)C1CN2CCN1CC2
InChIInChI=1S/C15H23N3O/c1-2-19-14-6-4-3-5-12(14)15(16)13-11-17-7-9-18(13)10-8-17/h3-6,13,15H,2,7-11,16H2,1H3
InChIKeyFYIZGMARLMMSKD-UHFFFAOYSA-N
XLogP1.08
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-diazabicyclo[2.2.2]octan-2-yl-(2-ethoxyphenyl)methanamine?
The IUPAC name of 1,4-diazabicyclo[2.2.2]octan-2-yl-(2-ethoxyphenyl)methanamine (CID 79974142) is 1,4-diazabicyclo[2.2.2]octan-2-yl-(2-ethoxyphenyl)methanamine.
What is the SMILES notation for 1,4-diazabicyclo[2.2.2]octan-2-yl-(2-ethoxyphenyl)methanamine?
The canonical SMILES for 1,4-diazabicyclo[2.2.2]octan-2-yl-(2-ethoxyphenyl)methanamine is CCOc1ccccc1C(N)C1CN2CCN1CC2.
What is the InChIKey of 1,4-diazabicyclo[2.2.2]octan-2-yl-(2-ethoxyphenyl)methanamine?
The InChIKey is FYIZGMARLMMSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-2-19-14-6-4-3-5-12(14)15(16)13-11-17-7-9-18(13)10-8-17/h3-6,13,15H,2,7-11,16H2,1H3.
What are the key properties of 1,4-diazabicyclo[2.2.2]octan-2-yl-(2-ethoxyphenyl)methanamine?
1,4-diazabicyclo[2.2.2]octan-2-yl-(2-ethoxyphenyl)methanamine has a molecular weight of 261.37 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diazabicyclo[2.2.2]octan-2-yl-(2-ethoxyphenyl)methanamine is sourced from PubChem (CID 79974142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).