2-azabicyclo[2.2.1]heptan-2-yl-[5-methyl-2-(methylamino)phenyl]methanone

C15H20N2O — CID 62511342

IUPAC2-azabicyclo[2.2.1]heptan-2-yl-[5-methyl-2-(methylamino)phenyl]methanone
SMILESCNc1ccc(C)cc1C(=O)N1CC2CCC1C2
InChIInChI=1S/C15H20N2O/c1-10-3-6-14(16-2)13(7-10)15(18)17-9-11-4-5-12(17)8-11/h3,6-7,11-12,16H,4-5,8-9H2,1-2H3
InChIKeyGNIIJMPVQFKENH-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.66
Rot. Bonds2

About 2-azabicyclo[2.2.1]heptan-2-yl-[5-methyl-2-(methylamino)phenyl]methanone

2-azabicyclo[2.2.1]heptan-2-yl-[5-methyl-2-(methylamino)phenyl]methanone (PubChem CID 62511342) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-azabicyclo[2.2.1]heptan-2-yl-[5-methyl-2-(methylamino)phenyl]methanone.

Molecular Properties

Compound Name2-azabicyclo[2.2.1]heptan-2-yl-[5-methyl-2-(methylamino)phenyl]methanone
PubChem CID62511342
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-azabicyclo[2.2.1]heptan-2-yl-[5-methyl-2-(methylamino)phenyl]methanone
SMILESCNc1ccc(C)cc1C(=O)N1CC2CCC1C2
InChIInChI=1S/C15H20N2O/c1-10-3-6-14(16-2)13(7-10)15(18)17-9-11-4-5-12(17)8-11/h3,6-7,11-12,16H,4-5,8-9H2,1-2H3
InChIKeyGNIIJMPVQFKENH-UHFFFAOYSA-N
XLogP2.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-azabicyclo[2.2.1]heptan-2-yl-(2-hydroxy-4-methylphenyl)methanone
CID 61072122
[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-(5-methyl-2-pyrrolidin-1-ylphenyl)methanone
CID 98175322
2-azabicyclo[2.2.1]heptan-2-yl-[4-fluoro-5-(methylamino)-2-nitrophenyl]methanone
CID 62174221
[5-methyl-2-(methylamino)phenyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 66370710
(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
2-azabicyclo[2.2.1]heptan-2-yl-[5-bromo-2-(methylamino)-3-pyridinyl]methanone
CID 62174401
(2-amino-3-methylphenyl)-(2-azabicyclo[2.2.1]heptan-2-yl)methanone
CID 54976231
[5-methyl-2-(methylamino)phenyl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103502265
(1,1-dioxo-1,4-thiazinan-4-yl)-[5-methyl-2-(methylamino)phenyl]methanone
CID 62509511

Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[2.2.1]heptan-2-yl-[5-methyl-2-(methylamino)phenyl]methanone?
The IUPAC name of 2-azabicyclo[2.2.1]heptan-2-yl-[5-methyl-2-(methylamino)phenyl]methanone (CID 62511342) is 2-azabicyclo[2.2.1]heptan-2-yl-[5-methyl-2-(methylamino)phenyl]methanone.
What is the SMILES notation for 2-azabicyclo[2.2.1]heptan-2-yl-[5-methyl-2-(methylamino)phenyl]methanone?
The canonical SMILES for 2-azabicyclo[2.2.1]heptan-2-yl-[5-methyl-2-(methylamino)phenyl]methanone is CNc1ccc(C)cc1C(=O)N1CC2CCC1C2.
What is the InChIKey of 2-azabicyclo[2.2.1]heptan-2-yl-[5-methyl-2-(methylamino)phenyl]methanone?
The InChIKey is GNIIJMPVQFKENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-10-3-6-14(16-2)13(7-10)15(18)17-9-11-4-5-12(17)8-11/h3,6-7,11-12,16H,4-5,8-9H2,1-2H3.
What are the key properties of 2-azabicyclo[2.2.1]heptan-2-yl-[5-methyl-2-(methylamino)phenyl]methanone?
2-azabicyclo[2.2.1]heptan-2-yl-[5-methyl-2-(methylamino)phenyl]methanone has a molecular weight of 244.34 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[2.2.1]heptan-2-yl-[5-methyl-2-(methylamino)phenyl]methanone is sourced from PubChem (CID 62511342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).