4-[(2-ethoxyphenyl)methyl]-1,4-diazabicyclo[3.2.1]octane

C15H22N2O — CID 154772261

IUPAC4-[(2-ethoxyphenyl)methyl]-1,4-diazabicyclo[3.2.1]octane
SMILESCCOc1ccccc1CN1CCN2CCC1C2
InChIInChI=1S/C15H22N2O/c1-2-18-15-6-4-3-5-13(15)11-17-10-9-16-8-7-14(17)12-16/h3-6,14H,2,7-12H2,1H3
InChIKeyISJDFEDTLHEQGA-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.98
Rot. Bonds4

About 4-[(2-ethoxyphenyl)methyl]-1,4-diazabicyclo[3.2.1]octane

4-[(2-ethoxyphenyl)methyl]-1,4-diazabicyclo[3.2.1]octane (PubChem CID 154772261) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 4-[(2-ethoxyphenyl)methyl]-1,4-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name4-[(2-ethoxyphenyl)methyl]-1,4-diazabicyclo[3.2.1]octane
PubChem CID154772261
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name4-[(2-ethoxyphenyl)methyl]-1,4-diazabicyclo[3.2.1]octane
SMILESCCOc1ccccc1CN1CCN2CCC1C2
InChIInChI=1S/C15H22N2O/c1-2-18-15-6-4-3-5-13(15)11-17-10-9-16-8-7-14(17)12-16/h3-6,14H,2,7-12H2,1H3
InChIKeyISJDFEDTLHEQGA-UHFFFAOYSA-N
XLogP1.98
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethoxyphenyl)methyl]-1,4-diazabicyclo[3.2.1]octane?
The IUPAC name of 4-[(2-ethoxyphenyl)methyl]-1,4-diazabicyclo[3.2.1]octane (CID 154772261) is 4-[(2-ethoxyphenyl)methyl]-1,4-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 4-[(2-ethoxyphenyl)methyl]-1,4-diazabicyclo[3.2.1]octane?
The canonical SMILES for 4-[(2-ethoxyphenyl)methyl]-1,4-diazabicyclo[3.2.1]octane is CCOc1ccccc1CN1CCN2CCC1C2.
What is the InChIKey of 4-[(2-ethoxyphenyl)methyl]-1,4-diazabicyclo[3.2.1]octane?
The InChIKey is ISJDFEDTLHEQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-18-15-6-4-3-5-13(15)11-17-10-9-16-8-7-14(17)12-16/h3-6,14H,2,7-12H2,1H3.
What are the key properties of 4-[(2-ethoxyphenyl)methyl]-1,4-diazabicyclo[3.2.1]octane?
4-[(2-ethoxyphenyl)methyl]-1,4-diazabicyclo[3.2.1]octane has a molecular weight of 246.35 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethoxyphenyl)methyl]-1,4-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 154772261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).