8-methyl-3-(2-methyl-4-nitrophenoxy)-8-azabicyclo[3.2.1]octane

C15H20N2O3 — CID 68944112

IUPAC8-methyl-3-(2-methyl-4-nitrophenoxy)-8-azabicyclo[3.2.1]octane
SMILESCc1cc([N+](=O)[O-])ccc1OC1CC2CCC(C1)N2C
InChIInChI=1S/C15H20N2O3/c1-10-7-13(17(18)19)5-6-15(10)20-14-8-11-3-4-12(9-14)16(11)2/h5-7,11-12,14H,3-4,8-9H2,1-2H3
InChIKeyHQSNYMFYPQTWNE-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.91
Rot. Bonds3

About 8-methyl-3-(2-methyl-4-nitrophenoxy)-8-azabicyclo[3.2.1]octane

8-methyl-3-(2-methyl-4-nitrophenoxy)-8-azabicyclo[3.2.1]octane (PubChem CID 68944112) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 8-methyl-3-(2-methyl-4-nitrophenoxy)-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-methyl-3-(2-methyl-4-nitrophenoxy)-8-azabicyclo[3.2.1]octane
PubChem CID68944112
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name8-methyl-3-(2-methyl-4-nitrophenoxy)-8-azabicyclo[3.2.1]octane
SMILESCc1cc([N+](=O)[O-])ccc1OC1CC2CCC(C1)N2C
InChIInChI=1S/C15H20N2O3/c1-10-7-13(17(18)19)5-6-15(10)20-14-8-11-3-4-12(9-14)16(11)2/h5-7,11-12,14H,3-4,8-9H2,1-2H3
InChIKeyHQSNYMFYPQTWNE-UHFFFAOYSA-N
XLogP2.91
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-methyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]aniline
CID 68943596
(1R,5S)-8-methyl-3-(3-methyl-4-nitrophenoxy)-8-azabicyclo[3.2.1]octane
CID 68939464
3-(2-fluoro-4-nitrophenoxy)-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 141181782
1-[3-(2-fluoro-4-nitrophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropan-2-ol
CID 77161954
(2S)-2-methyl-3-(2-methyl-4-nitrophenoxy)azetidine
CID 172578280
3-(2-methyl-5-nitrophenoxy)azetidine
CID 62785560
3-(2-chloro-4-nitrophenoxy)-N-methylcyclobutan-1-amine
CID 66357280
3-(2-methoxy-4-nitrophenoxy)-N-methylcyclobutan-1-amine
CID 66352664
1-methyl-4-[4-nitro-2-(trifluoromethyl)phenoxy]piperidine
CID 22181168
2-cyclobutyloxy-N,N-dimethyl-5-nitroaniline
CID 170769157
4-(2,4-dinitrophenoxy)piperidine
CID 62342248
2-(3,4-dimethylcyclohexyl)oxy-5-nitroaniline
CID 64745503

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-(2-methyl-4-nitrophenoxy)-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-methyl-3-(2-methyl-4-nitrophenoxy)-8-azabicyclo[3.2.1]octane (CID 68944112) is 8-methyl-3-(2-methyl-4-nitrophenoxy)-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-methyl-3-(2-methyl-4-nitrophenoxy)-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-methyl-3-(2-methyl-4-nitrophenoxy)-8-azabicyclo[3.2.1]octane is Cc1cc([N+](=O)[O-])ccc1OC1CC2CCC(C1)N2C.
What is the InChIKey of 8-methyl-3-(2-methyl-4-nitrophenoxy)-8-azabicyclo[3.2.1]octane?
The InChIKey is HQSNYMFYPQTWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10-7-13(17(18)19)5-6-15(10)20-14-8-11-3-4-12(9-14)16(11)2/h5-7,11-12,14H,3-4,8-9H2,1-2H3.
What are the key properties of 8-methyl-3-(2-methyl-4-nitrophenoxy)-8-azabicyclo[3.2.1]octane?
8-methyl-3-(2-methyl-4-nitrophenoxy)-8-azabicyclo[3.2.1]octane has a molecular weight of 276.34 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-(2-methyl-4-nitrophenoxy)-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 68944112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).