[5-methyl-2-(methylamino)phenyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone

C15H20N2O2 — CID 66370710

IUPAC[5-methyl-2-(methylamino)phenyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
SMILESCNc1ccc(C)cc1C(=O)N1CC2CCC(C1)O2
InChIInChI=1S/C15H20N2O2/c1-10-3-6-14(16-2)13(7-10)15(18)17-8-11-4-5-12(9-17)19-11/h3,6-7,11-12,16H,4-5,8-9H2,1-2H3
InChIKeyHQQUQYOHSDSDFB-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.04
Rot. Bonds2

About [5-methyl-2-(methylamino)phenyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone

[5-methyl-2-(methylamino)phenyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone (PubChem CID 66370710) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is [5-methyl-2-(methylamino)phenyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone.

Molecular Properties

Compound Name[5-methyl-2-(methylamino)phenyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
PubChem CID66370710
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name[5-methyl-2-(methylamino)phenyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
SMILESCNc1ccc(C)cc1C(=O)N1CC2CCC(C1)O2
InChIInChI=1S/C15H20N2O2/c1-10-3-6-14(16-2)13(7-10)15(18)17-8-11-4-5-12(9-17)19-11/h3,6-7,11-12,16H,4-5,8-9H2,1-2H3
InChIKeyHQQUQYOHSDSDFB-UHFFFAOYSA-N
XLogP2.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-methyl-2-(methylamino)phenyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone with MolForge

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Related Compounds

[5-methyl-2-(methylamino)phenyl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103502265
2-azabicyclo[2.2.1]heptan-2-yl-[5-methyl-2-(methylamino)phenyl]methanone
CID 62511342
[3-(methylamino)-2-nitrophenyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 115549246
(1,1-dioxo-1,4-thiazinan-4-yl)-[5-methyl-2-(methylamino)phenyl]methanone
CID 62509511
(4-ethylpiperazin-1-yl)-[5-methyl-2-(methylamino)phenyl]methanone
CID 62510512
(2-methyl-5-sulfanylphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 107031826
[5-chloro-2-(methylamino)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 62172046
[5-chloro-2-(methylamino)phenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 104960487
(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-[5-methyl-2-(methylamino)phenyl]methanone
CID 79934104
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-[5-methyl-2-(methylamino)phenyl]methanone
CID 102789296
(3-ethylmorpholin-4-yl)-[5-methyl-2-(methylamino)phenyl]methanone
CID 55083039
[2-(hydroxymethyl)azepan-1-yl]-[5-methyl-2-(methylamino)phenyl]methanone
CID 116637955

Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-(methylamino)phenyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone?
The IUPAC name of [5-methyl-2-(methylamino)phenyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone (CID 66370710) is [5-methyl-2-(methylamino)phenyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone.
What is the SMILES notation for [5-methyl-2-(methylamino)phenyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone?
The canonical SMILES for [5-methyl-2-(methylamino)phenyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone is CNc1ccc(C)cc1C(=O)N1CC2CCC(C1)O2.
What is the InChIKey of [5-methyl-2-(methylamino)phenyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone?
The InChIKey is HQQUQYOHSDSDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10-3-6-14(16-2)13(7-10)15(18)17-8-11-4-5-12(9-17)19-11/h3,6-7,11-12,16H,4-5,8-9H2,1-2H3.
What are the key properties of [5-methyl-2-(methylamino)phenyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone?
[5-methyl-2-(methylamino)phenyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone has a molecular weight of 260.34 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-(methylamino)phenyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone is sourced from PubChem (CID 66370710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).