N-(2-ethylphenyl)-1-azabicyclo[2.2.2]octan-3-amine

C15H22N2 — CID 43121623

IUPACN-(2-ethylphenyl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESCCc1ccccc1NC1CN2CCC1CC2
InChIInChI=1S/C15H22N2/c1-2-12-5-3-4-6-14(12)16-15-11-17-9-7-13(15)8-10-17/h3-6,13,15-16H,2,7-11H2,1H3
InChIKeyWWFGBHFZMGBEGT-UHFFFAOYSA-N
MW230.36 g/mol
LogP2.76
Rot. Bonds3

About N-(2-ethylphenyl)-1-azabicyclo[2.2.2]octan-3-amine

N-(2-ethylphenyl)-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 43121623) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is N-(2-ethylphenyl)-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound NameN-(2-ethylphenyl)-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID43121623
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC NameN-(2-ethylphenyl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESCCc1ccccc1NC1CN2CCC1CC2
InChIInChI=1S/C15H22N2/c1-2-12-5-3-4-6-14(12)16-15-11-17-9-7-13(15)8-10-17/h3-6,13,15-16H,2,7-11H2,1H3
InChIKeyWWFGBHFZMGBEGT-UHFFFAOYSA-N
XLogP2.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-propylphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43687475
N-(2-propylphenyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105363993
N-(2-methoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43121544
methyl 2-(1-azabicyclo[2.2.2]octan-3-ylamino)benzoate
CID 43321974
1-N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylbenzene-1,2-diamine
CID 114041152
N-(2-pyrrolidin-1-ylphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43684279
trans-(1R,2R)-2-(2-ethylanilino)cyclobutan-1-ol
CID 131701457
5-(1-azabicyclo[2.2.2]octan-3-ylamino)naphthalen-1-ol
CID 43743060
trans-(1S,2S)-2-(2-ethylanilino)cyclohexan-1-ol
CID 102730945
2-ethyl-N-(2-methylcyclohexyl)aniline
CID 43095688
3-(1-azabicyclo[2.2.2]octan-3-ylamino)-2-methylbenzamide
CID 43694209
(2S,3R)-N-(2-ethylphenyl)-2-methyloxolan-3-amine
CID 97358541

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of N-(2-ethylphenyl)-1-azabicyclo[2.2.2]octan-3-amine (CID 43121623) is N-(2-ethylphenyl)-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for N-(2-ethylphenyl)-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for N-(2-ethylphenyl)-1-azabicyclo[2.2.2]octan-3-amine is CCc1ccccc1NC1CN2CCC1CC2.
What is the InChIKey of N-(2-ethylphenyl)-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is WWFGBHFZMGBEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-2-12-5-3-4-6-14(12)16-15-11-17-9-7-13(15)8-10-17/h3-6,13,15-16H,2,7-11H2,1H3.
What are the key properties of N-(2-ethylphenyl)-1-azabicyclo[2.2.2]octan-3-amine?
N-(2-ethylphenyl)-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 230.36 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 43121623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).