N-[[2-(ethoxymethyl)phenyl]methyl]-1-azabicyclo[2.2.2]octan-3-amine

C17H26N2O — CID 60924538

IUPACN-[[2-(ethoxymethyl)phenyl]methyl]-1-azabicyclo[2.2.2]octan-3-amine
SMILESCCOCc1ccccc1CNC1CN2CCC1CC2
InChIInChI=1S/C17H26N2O/c1-2-20-13-16-6-4-3-5-15(16)11-18-17-12-19-9-7-14(17)8-10-19/h3-6,14,17-18H,2,7-13H2,1H3
InChIKeyICSDSAKQNIVAIL-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.41
Rot. Bonds6

About N-[[2-(ethoxymethyl)phenyl]methyl]-1-azabicyclo[2.2.2]octan-3-amine

N-[[2-(ethoxymethyl)phenyl]methyl]-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 60924538) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[[2-(ethoxymethyl)phenyl]methyl]-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound NameN-[[2-(ethoxymethyl)phenyl]methyl]-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID60924538
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[[2-(ethoxymethyl)phenyl]methyl]-1-azabicyclo[2.2.2]octan-3-amine
SMILESCCOCc1ccccc1CNC1CN2CCC1CC2
InChIInChI=1S/C17H26N2O/c1-2-20-13-16-6-4-3-5-15(16)11-18-17-12-19-9-7-14(17)8-10-19/h3-6,14,17-18H,2,7-13H2,1H3
InChIKeyICSDSAKQNIVAIL-UHFFFAOYSA-N
XLogP2.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
N-[(2-propan-2-yloxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43763475
N-[[2-(ethoxymethyl)phenyl]methyl]-1-ethylpiperidin-4-amine
CID 60924202
N-[[2-(ethoxymethyl)phenyl]methyl]-2,3-dimethylcyclohexan-1-amine
CID 64762280
4-[[2-(ethoxymethyl)phenyl]methylamino]oxolan-3-ol
CID 54861693
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride
CID 17158799
N-[(4-ethylphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 17158935
4-N-[[2-(ethoxymethyl)phenyl]methyl]cyclohexane-1,4-diamine
CID 79730790
N-[[2-(ethoxymethyl)phenyl]methyl]oxan-4-amine
CID 54861796
(3R)-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 95228435
N-[[2-(ethoxymethyl)phenyl]methyl]-1,2-dimethylpiperidin-4-amine
CID 81300764

Frequently Asked Questions

What is the IUPAC name of N-[[2-(ethoxymethyl)phenyl]methyl]-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of N-[[2-(ethoxymethyl)phenyl]methyl]-1-azabicyclo[2.2.2]octan-3-amine (CID 60924538) is N-[[2-(ethoxymethyl)phenyl]methyl]-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for N-[[2-(ethoxymethyl)phenyl]methyl]-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for N-[[2-(ethoxymethyl)phenyl]methyl]-1-azabicyclo[2.2.2]octan-3-amine is CCOCc1ccccc1CNC1CN2CCC1CC2.
What is the InChIKey of N-[[2-(ethoxymethyl)phenyl]methyl]-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is ICSDSAKQNIVAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-20-13-16-6-4-3-5-15(16)11-18-17-12-19-9-7-14(17)8-10-19/h3-6,14,17-18H,2,7-13H2,1H3.
What are the key properties of N-[[2-(ethoxymethyl)phenyl]methyl]-1-azabicyclo[2.2.2]octan-3-amine?
N-[[2-(ethoxymethyl)phenyl]methyl]-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 274.41 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(ethoxymethyl)phenyl]methyl]-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 60924538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).