3-methyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]aniline

C15H22N2O — CID 68943596

IUPAC3-methyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]aniline
SMILESCc1cc(N)ccc1OC1CC2CCC(C1)N2C
InChIInChI=1S/C15H22N2O/c1-10-7-11(16)3-6-15(10)18-14-8-12-4-5-13(9-14)17(12)2/h3,6-7,12-14H,4-5,8-9,16H2,1-2H3
InChIKeyBFCGVAJGCIQMFI-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.58
Rot. Bonds2

About 3-methyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]aniline

3-methyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]aniline (PubChem CID 68943596) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-methyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]aniline.

Molecular Properties

Compound Name3-methyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]aniline
PubChem CID68943596
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-methyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]aniline
SMILESCc1cc(N)ccc1OC1CC2CCC(C1)N2C
InChIInChI=1S/C15H22N2O/c1-10-7-11(16)3-6-15(10)18-14-8-12-4-5-13(9-14)17(12)2/h3,6-7,12-14H,4-5,8-9,16H2,1-2H3
InChIKeyBFCGVAJGCIQMFI-UHFFFAOYSA-N
XLogP2.58
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]aniline?
The IUPAC name of 3-methyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]aniline (CID 68943596) is 3-methyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]aniline.
What is the SMILES notation for 3-methyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]aniline?
The canonical SMILES for 3-methyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]aniline is Cc1cc(N)ccc1OC1CC2CCC(C1)N2C.
What is the InChIKey of 3-methyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]aniline?
The InChIKey is BFCGVAJGCIQMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10-7-11(16)3-6-15(10)18-14-8-12-4-5-13(9-14)17(12)2/h3,6-7,12-14H,4-5,8-9,16H2,1-2H3.
What are the key properties of 3-methyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]aniline?
3-methyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]aniline has a molecular weight of 246.35 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]aniline is sourced from PubChem (CID 68943596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).