N-(3-ethoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine

C15H22N2O — CID 60934608

IUPACN-(3-ethoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESCCOc1cccc(NC2CN3CCC2CC3)c1
InChIInChI=1S/C15H22N2O/c1-2-18-14-5-3-4-13(10-14)16-15-11-17-8-6-12(15)7-9-17/h3-5,10,12,15-16H,2,6-9,11H2,1H3
InChIKeyOWUHXSCIMWIYKP-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.59
Rot. Bonds4

About N-(3-ethoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine

N-(3-ethoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 60934608) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-(3-ethoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound NameN-(3-ethoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID60934608
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-(3-ethoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESCCOc1cccc(NC2CN3CCC2CC3)c1
InChIInChI=1S/C15H22N2O/c1-2-18-14-5-3-4-13(10-14)16-15-11-17-8-6-12(15)7-9-17/h3-5,10,12,15-16H,2,6-9,11H2,1H3
InChIKeyOWUHXSCIMWIYKP-UHFFFAOYSA-N
XLogP2.59
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43121545
(3R)-N-[(3-ethoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 834296
N-(4-ethoxy-2-methylphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 60936279
N-[3-(trifluoromethoxy)phenyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43121637
N-[3-(2-methylpropoxy)phenyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364370
N-[(3-ethoxyphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364330
2-[3-(1-azabicyclo[3.2.1]octan-4-ylamino)phenoxy]-N-methylacetamide
CID 105364030
N-(3-ethoxyphenyl)-1-propylpiperidin-4-amine
CID 54864978
N-(2-ethoxy-4-fluorophenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43730192
N-[3-(1,2,4-triazol-4-yl)phenyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43692043
3-(1-azabicyclo[2.2.2]octan-3-ylamino)benzenesulfonamide
CID 43121602
3-ethoxy-N-[4-(trifluoromethyl)cyclohexyl]aniline
CID 64755472

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of N-(3-ethoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine (CID 60934608) is N-(3-ethoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for N-(3-ethoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for N-(3-ethoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine is CCOc1cccc(NC2CN3CCC2CC3)c1.
What is the InChIKey of N-(3-ethoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is OWUHXSCIMWIYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-18-14-5-3-4-13(10-14)16-15-11-17-8-6-12(15)7-9-17/h3-5,10,12,15-16H,2,6-9,11H2,1H3.
What are the key properties of N-(3-ethoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine?
N-(3-ethoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 246.35 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 60934608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).