N-(4-ethoxy-2-methylphenyl)-1-azabicyclo[2.2.2]octan-3-amine

C16H24N2O — CID 60936279

IUPACN-(4-ethoxy-2-methylphenyl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESCCOc1ccc(NC2CN3CCC2CC3)c(C)c1
InChIInChI=1S/C16H24N2O/c1-3-19-14-4-5-15(12(2)10-14)17-16-11-18-8-6-13(16)7-9-18/h4-5,10,13,16-17H,3,6-9,11H2,1-2H3
InChIKeyDIZMVBJZPTTWCI-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.90
Rot. Bonds4

About N-(4-ethoxy-2-methylphenyl)-1-azabicyclo[2.2.2]octan-3-amine

N-(4-ethoxy-2-methylphenyl)-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 60936279) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-(4-ethoxy-2-methylphenyl)-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound NameN-(4-ethoxy-2-methylphenyl)-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID60936279
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-(4-ethoxy-2-methylphenyl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESCCOc1ccc(NC2CN3CCC2CC3)c(C)c1
InChIInChI=1S/C16H24N2O/c1-3-19-14-4-5-15(12(2)10-14)17-16-11-18-8-6-13(16)7-9-18/h4-5,10,13,16-17H,3,6-9,11H2,1-2H3
InChIKeyDIZMVBJZPTTWCI-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze N-(4-ethoxy-2-methylphenyl)-1-azabicyclo[2.2.2]octan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-ethoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43121545
N-(3-ethoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 60934608
N-(2-ethoxy-4-fluorophenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43730192
N-(4-ethoxy-2-methylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 63451179
4-ethoxy-2-methyl-N-(4-methylcyclohexyl)aniline
CID 63451354
N-(3-cyclopropylcyclohexyl)-4-ethoxy-2-methylaniline
CID 64624806
N-(4-ethoxy-2-methylphenyl)adamantan-2-amine
CID 63451444
N-(3-bromo-5-chloro-2-ethoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43690803
4-ethoxy-2-methyl-N-(3-methylcyclopentyl)aniline
CID 64500477
N-(3,5-dimethylcyclohexyl)-4-ethoxy-2-methylaniline
CID 64752605
N-(4-ethoxy-2-methylphenyl)oxolan-3-amine
CID 63335587
N-(4-methoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43121635

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-2-methylphenyl)-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of N-(4-ethoxy-2-methylphenyl)-1-azabicyclo[2.2.2]octan-3-amine (CID 60936279) is N-(4-ethoxy-2-methylphenyl)-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for N-(4-ethoxy-2-methylphenyl)-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for N-(4-ethoxy-2-methylphenyl)-1-azabicyclo[2.2.2]octan-3-amine is CCOc1ccc(NC2CN3CCC2CC3)c(C)c1.
What is the InChIKey of N-(4-ethoxy-2-methylphenyl)-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is DIZMVBJZPTTWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-19-14-4-5-15(12(2)10-14)17-16-11-18-8-6-13(16)7-9-18/h4-5,10,13,16-17H,3,6-9,11H2,1-2H3.
What are the key properties of N-(4-ethoxy-2-methylphenyl)-1-azabicyclo[2.2.2]octan-3-amine?
N-(4-ethoxy-2-methylphenyl)-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 260.38 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-2-methylphenyl)-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 60936279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).