[6-(cyclopropylmethoxy)-2-azabicyclo[2.2.1]heptan-2-yl]-(2-methylphenyl)methanone

C18H23NO2 — CID 131643735

IUPAC[6-(cyclopropylmethoxy)-2-azabicyclo[2.2.1]heptan-2-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CC2CC(OCC3CC3)C1C2
InChIInChI=1S/C18H23NO2/c1-12-4-2-3-5-15(12)18(20)19-10-14-8-16(19)17(9-14)21-11-13-6-7-13/h2-5,13-14,16-17H,6-11H2,1H3
InChIKeyYJIWAUXSMJAEQB-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.02
Rot. Bonds4

About [6-(cyclopropylmethoxy)-2-azabicyclo[2.2.1]heptan-2-yl]-(2-methylphenyl)methanone

[6-(cyclopropylmethoxy)-2-azabicyclo[2.2.1]heptan-2-yl]-(2-methylphenyl)methanone (PubChem CID 131643735) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is [6-(cyclopropylmethoxy)-2-azabicyclo[2.2.1]heptan-2-yl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[6-(cyclopropylmethoxy)-2-azabicyclo[2.2.1]heptan-2-yl]-(2-methylphenyl)methanone
PubChem CID131643735
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name[6-(cyclopropylmethoxy)-2-azabicyclo[2.2.1]heptan-2-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CC2CC(OCC3CC3)C1C2
InChIInChI=1S/C18H23NO2/c1-12-4-2-3-5-15(12)18(20)19-10-14-8-16(19)17(9-14)21-11-13-6-7-13/h2-5,13-14,16-17H,6-11H2,1H3
InChIKeyYJIWAUXSMJAEQB-UHFFFAOYSA-N
XLogP3.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R,4R,6S)-2-(2-methylbenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide
CID 53184790
[4-[(2-methylbenzoyl)oxymethyl]cyclohexyl]methyl 2-methylbenzoate
CID 18407926
2-(cyclopropylmethoxy)-1-(2-methylphenyl)ethanone
CID 43799214
4-methoxy-1-(2-methylbenzoyl)pyrrolidine-2-carboxylic acid
CID 24694266
[6-(5-methylpyrazin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-(2-pyrimidin-2-ylphenyl)methanone
CID 126745391
(2-ethylpyrrolidin-1-yl)-(2-methylphenyl)methanone
CID 110604637
[(3S)-3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-(2-methylphenyl)methanone
CID 95782192
1-(2-methylbenzoyl)azepane-2-carboxylic acid
CID 64559546
[(3aS,7R,7aS)-7-(cyclopropylmethoxy)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-(2-fluorophenyl)methanone
CID 97486516
[2-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 126745497
(2R,3R)-2-(2,2-dimethylpropyl)-1-(2-methylbenzoyl)piperidine-3-carboxylic acid
CID 68604203
(2-methylphenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone
CID 60979228

Frequently Asked Questions

What is the IUPAC name of [6-(cyclopropylmethoxy)-2-azabicyclo[2.2.1]heptan-2-yl]-(2-methylphenyl)methanone?
The IUPAC name of [6-(cyclopropylmethoxy)-2-azabicyclo[2.2.1]heptan-2-yl]-(2-methylphenyl)methanone (CID 131643735) is [6-(cyclopropylmethoxy)-2-azabicyclo[2.2.1]heptan-2-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [6-(cyclopropylmethoxy)-2-azabicyclo[2.2.1]heptan-2-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [6-(cyclopropylmethoxy)-2-azabicyclo[2.2.1]heptan-2-yl]-(2-methylphenyl)methanone is Cc1ccccc1C(=O)N1CC2CC(OCC3CC3)C1C2.
What is the InChIKey of [6-(cyclopropylmethoxy)-2-azabicyclo[2.2.1]heptan-2-yl]-(2-methylphenyl)methanone?
The InChIKey is YJIWAUXSMJAEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-12-4-2-3-5-15(12)18(20)19-10-14-8-16(19)17(9-14)21-11-13-6-7-13/h2-5,13-14,16-17H,6-11H2,1H3.
What are the key properties of [6-(cyclopropylmethoxy)-2-azabicyclo[2.2.1]heptan-2-yl]-(2-methylphenyl)methanone?
[6-(cyclopropylmethoxy)-2-azabicyclo[2.2.1]heptan-2-yl]-(2-methylphenyl)methanone has a molecular weight of 285.39 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(cyclopropylmethoxy)-2-azabicyclo[2.2.1]heptan-2-yl]-(2-methylphenyl)methanone is sourced from PubChem (CID 131643735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).