N-[(2-propan-2-yloxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine

C17H26N2O — CID 43763475

IUPACN-[(2-propan-2-yloxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
SMILESCC(C)Oc1ccccc1CNC1CN2CCC1CC2
InChIInChI=1S/C17H26N2O/c1-13(2)20-17-6-4-3-5-15(17)11-18-16-12-19-9-7-14(16)8-10-19/h3-6,13-14,16,18H,7-12H2,1-2H3
InChIKeyQIZJHDGYVVAEAU-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.66
Rot. Bonds5

About N-[(2-propan-2-yloxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine

N-[(2-propan-2-yloxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 43763475) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[(2-propan-2-yloxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound NameN-[(2-propan-2-yloxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID43763475
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[(2-propan-2-yloxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
SMILESCC(C)Oc1ccccc1CNC1CN2CCC1CC2
InChIInChI=1S/C17H26N2O/c1-13(2)20-17-6-4-3-5-15(17)11-18-16-12-19-9-7-14(16)8-10-19/h3-6,13-14,16,18H,7-12H2,1-2H3
InChIKeyQIZJHDGYVVAEAU-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-propan-2-yloxyphenyl)methyl]-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-[[2-(ethoxymethyl)phenyl]methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 60924538
N-[(2-iodophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 142748266
N-[(2-chlorophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride
CID 17158962
(3S)-1-cyclopropyl-N-[(2-propan-2-yloxyphenyl)methyl]pyrrolidin-3-amine
CID 129366909
(3R)-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 95228435
1-[4-[(2-propan-2-yloxyphenyl)methylamino]piperidin-1-yl]ethanone
CID 43224279
[2-[(2-propan-2-yloxyphenyl)methylamino]cyclopentyl]methanol
CID 103700313
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43763481
N-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 17159368
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43763566
N-[(2-propan-2-yloxyphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 112728521
2-[(1-azabicyclo[3.2.1]octan-4-ylamino)methyl]phenol
CID 105364937

Frequently Asked Questions

What is the IUPAC name of N-[(2-propan-2-yloxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of N-[(2-propan-2-yloxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine (CID 43763475) is N-[(2-propan-2-yloxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for N-[(2-propan-2-yloxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for N-[(2-propan-2-yloxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine is CC(C)Oc1ccccc1CNC1CN2CCC1CC2.
What is the InChIKey of N-[(2-propan-2-yloxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is QIZJHDGYVVAEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13(2)20-17-6-4-3-5-15(17)11-18-16-12-19-9-7-14(16)8-10-19/h3-6,13-14,16,18H,7-12H2,1-2H3.
What are the key properties of N-[(2-propan-2-yloxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine?
N-[(2-propan-2-yloxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 274.41 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-propan-2-yloxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 43763475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).