4-[(6-cyclopropyl-6-azabicyclo[3.2.1]octan-2-yl)oxy]aniline

C16H22N2O — CID 117050921

IUPAC4-[(6-cyclopropyl-6-azabicyclo[3.2.1]octan-2-yl)oxy]aniline
SMILESNc1ccc(OC2CCC3CC2CN3C2CC2)cc1
InChIInChI=1S/C16H22N2O/c17-12-1-6-15(7-2-12)19-16-8-5-14-9-11(16)10-18(14)13-3-4-13/h1-2,6-7,11,13-14,16H,3-5,8-10,17H2
InChIKeyBZSUDOLWAHBNAX-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.66
Rot. Bonds3

About 4-[(6-cyclopropyl-6-azabicyclo[3.2.1]octan-2-yl)oxy]aniline

4-[(6-cyclopropyl-6-azabicyclo[3.2.1]octan-2-yl)oxy]aniline (PubChem CID 117050921) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 4-[(6-cyclopropyl-6-azabicyclo[3.2.1]octan-2-yl)oxy]aniline.

Molecular Properties

Compound Name4-[(6-cyclopropyl-6-azabicyclo[3.2.1]octan-2-yl)oxy]aniline
PubChem CID117050921
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name4-[(6-cyclopropyl-6-azabicyclo[3.2.1]octan-2-yl)oxy]aniline
SMILESNc1ccc(OC2CCC3CC2CN3C2CC2)cc1
InChIInChI=1S/C16H22N2O/c17-12-1-6-15(7-2-12)19-16-8-5-14-9-11(16)10-18(14)13-3-4-13/h1-2,6-7,11,13-14,16H,3-5,8-10,17H2
InChIKeyBZSUDOLWAHBNAX-UHFFFAOYSA-N
XLogP2.66
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-cyclopropyl-6-azabicyclo[3.2.1]octan-2-yl)oxy]aniline?
The IUPAC name of 4-[(6-cyclopropyl-6-azabicyclo[3.2.1]octan-2-yl)oxy]aniline (CID 117050921) is 4-[(6-cyclopropyl-6-azabicyclo[3.2.1]octan-2-yl)oxy]aniline.
What is the SMILES notation for 4-[(6-cyclopropyl-6-azabicyclo[3.2.1]octan-2-yl)oxy]aniline?
The canonical SMILES for 4-[(6-cyclopropyl-6-azabicyclo[3.2.1]octan-2-yl)oxy]aniline is Nc1ccc(OC2CCC3CC2CN3C2CC2)cc1.
What is the InChIKey of 4-[(6-cyclopropyl-6-azabicyclo[3.2.1]octan-2-yl)oxy]aniline?
The InChIKey is BZSUDOLWAHBNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c17-12-1-6-15(7-2-12)19-16-8-5-14-9-11(16)10-18(14)13-3-4-13/h1-2,6-7,11,13-14,16H,3-5,8-10,17H2.
What are the key properties of 4-[(6-cyclopropyl-6-azabicyclo[3.2.1]octan-2-yl)oxy]aniline?
4-[(6-cyclopropyl-6-azabicyclo[3.2.1]octan-2-yl)oxy]aniline has a molecular weight of 258.37 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-cyclopropyl-6-azabicyclo[3.2.1]octan-2-yl)oxy]aniline is sourced from PubChem (CID 117050921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).