4-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethoxy]naphthalen-1-amine

C18H22N2O2 — CID 69254163

IUPAC4-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethoxy]naphthalen-1-amine
SMILESNc1ccc(OCCN2CC3CCC(C2)O3)c2ccccc12
InChIInChI=1S/C18H22N2O2/c19-17-7-8-18(16-4-2-1-3-15(16)17)21-10-9-20-11-13-5-6-14(12-20)22-13/h1-4,7-8,13-14H,5-6,9-12,19H2
InChIKeyIVRZUDMTFMRIFG-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.66
Rot. Bonds4

About 4-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethoxy]naphthalen-1-amine

4-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethoxy]naphthalen-1-amine (PubChem CID 69254163) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethoxy]naphthalen-1-amine.

Molecular Properties

Compound Name4-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethoxy]naphthalen-1-amine
PubChem CID69254163
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name4-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethoxy]naphthalen-1-amine
SMILESNc1ccc(OCCN2CC3CCC(C2)O3)c2ccccc12
InChIInChI=1S/C18H22N2O2/c19-17-7-8-18(16-4-2-1-3-15(16)17)21-10-9-20-11-13-5-6-14(12-20)22-13/h1-4,7-8,13-14H,5-6,9-12,19H2
InChIKeyIVRZUDMTFMRIFG-UHFFFAOYSA-N
XLogP2.66
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethoxy]naphthalen-1-amine?
The IUPAC name of 4-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethoxy]naphthalen-1-amine (CID 69254163) is 4-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethoxy]naphthalen-1-amine.
What is the SMILES notation for 4-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethoxy]naphthalen-1-amine?
The canonical SMILES for 4-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethoxy]naphthalen-1-amine is Nc1ccc(OCCN2CC3CCC(C2)O3)c2ccccc12.
What is the InChIKey of 4-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethoxy]naphthalen-1-amine?
The InChIKey is IVRZUDMTFMRIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c19-17-7-8-18(16-4-2-1-3-15(16)17)21-10-9-20-11-13-5-6-14(12-20)22-13/h1-4,7-8,13-14H,5-6,9-12,19H2.
What are the key properties of 4-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethoxy]naphthalen-1-amine?
4-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethoxy]naphthalen-1-amine has a molecular weight of 298.39 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethoxy]naphthalen-1-amine is sourced from PubChem (CID 69254163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).