[2-(2-aminoethyl)phenyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone

C15H20N2O2 — CID 66371214

IUPAC[2-(2-aminoethyl)phenyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
SMILESNCCc1ccccc1C(=O)N1CC2CCC(C1)O2
InChIInChI=1S/C15H20N2O2/c16-8-7-11-3-1-2-4-14(11)15(18)17-9-12-5-6-13(10-17)19-12/h1-4,12-13H,5-10,16H2
InChIKeyIZRHCNQFGJOPAT-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.19
Rot. Bonds3

About [2-(2-aminoethyl)phenyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone

[2-(2-aminoethyl)phenyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone (PubChem CID 66371214) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is [2-(2-aminoethyl)phenyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone.

Molecular Properties

Compound Name[2-(2-aminoethyl)phenyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
PubChem CID66371214
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name[2-(2-aminoethyl)phenyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
SMILESNCCc1ccccc1C(=O)N1CC2CCC(C1)O2
InChIInChI=1S/C15H20N2O2/c16-8-7-11-3-1-2-4-14(11)15(18)17-9-12-5-6-13(10-17)19-12/h1-4,12-13H,5-10,16H2
InChIKeyIZRHCNQFGJOPAT-UHFFFAOYSA-N
XLogP1.19
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-aminoethyl)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 107217222
2-[1-[2-(2-aminoethyl)benzoyl]azetidin-3-yl]propanoic acid
CID 116682336
(2-iodophenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 66371651
[2-(2-aminoethyl)phenyl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103495362
[2-(2-aminoethyl)phenyl]-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 107219390
(2-cyclopropyloxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 136542777
(2R)-1-[2-(2-aminoethyl)benzoyl]piperidine-2-carboxylic acid
CID 79034919
[2-(2-aminoethyl)phenyl]-(4,4-dimethylazepan-1-yl)methanone
CID 65280889
(3-bromo-2-fluorophenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 106548067
(3-bromo-2-methylphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 66371650
1-[2-(2-aminoethyl)benzoyl]-3-methylpiperidine-2-carboxylic acid
CID 107068810
[2-(2-aminoethyl)phenyl]-(3-hydroxy-3-propylazetidin-1-yl)methanone
CID 107219935

Frequently Asked Questions

What is the IUPAC name of [2-(2-aminoethyl)phenyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone?
The IUPAC name of [2-(2-aminoethyl)phenyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone (CID 66371214) is [2-(2-aminoethyl)phenyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone.
What is the SMILES notation for [2-(2-aminoethyl)phenyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone?
The canonical SMILES for [2-(2-aminoethyl)phenyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone is NCCc1ccccc1C(=O)N1CC2CCC(C1)O2.
What is the InChIKey of [2-(2-aminoethyl)phenyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone?
The InChIKey is IZRHCNQFGJOPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c16-8-7-11-3-1-2-4-14(11)15(18)17-9-12-5-6-13(10-17)19-12/h1-4,12-13H,5-10,16H2.
What are the key properties of [2-(2-aminoethyl)phenyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone?
[2-(2-aminoethyl)phenyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone has a molecular weight of 260.34 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-aminoethyl)phenyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone is sourced from PubChem (CID 66371214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).