(4-methoxy-2,6-dimethylphenyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone

C19H27NO2 — CID 171940656

IUPAC(4-methoxy-2,6-dimethylphenyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
SMILESCOc1cc(C)c(C(=O)C2CC3CCCC(C2)N3C)c(C)c1
InChIInChI=1S/C19H27NO2/c1-12-8-17(22-4)9-13(2)18(12)19(21)14-10-15-6-5-7-16(11-14)20(15)3/h8-9,14-16H,5-7,10-11H2,1-4H3
InChIKeyAGKKNPIFUACLGY-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.76
Rot. Bonds3

About (4-methoxy-2,6-dimethylphenyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone

(4-methoxy-2,6-dimethylphenyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone (PubChem CID 171940656) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is (4-methoxy-2,6-dimethylphenyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone.

Molecular Properties

Compound Name(4-methoxy-2,6-dimethylphenyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
PubChem CID171940656
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC Name(4-methoxy-2,6-dimethylphenyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
SMILESCOc1cc(C)c(C(=O)C2CC3CCCC(C2)N3C)c(C)c1
InChIInChI=1S/C19H27NO2/c1-12-8-17(22-4)9-13(2)18(12)19(21)14-10-15-6-5-7-16(11-14)20(15)3/h8-9,14-16H,5-7,10-11H2,1-4H3
InChIKeyAGKKNPIFUACLGY-UHFFFAOYSA-N
XLogP3.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-methoxy-2,6-dimethylphenyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone with MolForge

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Related Compounds

(2,6-dimethoxyphenyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
CID 171941073
(4-methoxy-3,5-dimethylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
CID 171940671
(4-fluoro-2-methylphenyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
CID 171945077
(4-fluoro-2-methoxyphenyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
CID 171947337
methyl 9-methyl-9-azabicyclo[3.3.1]nonane-3-carboxylate
CID 171936317
(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methanone
CID 171939510
[2,6-bis(trifluoromethyl)phenyl]-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
CID 171939658
cyclopropyl-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
CID 171939010
(5-methoxy-2-methylphenyl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171947197
(4-methoxy-3-pyridinyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
CID 171943456
[3,5-bis(trifluoromethyl)phenyl]-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
CID 171939633
tert-butyl 3-(4-cyano-2,6-dimethylbenzoyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171939910

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-2,6-dimethylphenyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone?
The IUPAC name of (4-methoxy-2,6-dimethylphenyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone (CID 171940656) is (4-methoxy-2,6-dimethylphenyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone.
What is the SMILES notation for (4-methoxy-2,6-dimethylphenyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone?
The canonical SMILES for (4-methoxy-2,6-dimethylphenyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone is COc1cc(C)c(C(=O)C2CC3CCCC(C2)N3C)c(C)c1.
What is the InChIKey of (4-methoxy-2,6-dimethylphenyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone?
The InChIKey is AGKKNPIFUACLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO2/c1-12-8-17(22-4)9-13(2)18(12)19(21)14-10-15-6-5-7-16(11-14)20(15)3/h8-9,14-16H,5-7,10-11H2,1-4H3.
What are the key properties of (4-methoxy-2,6-dimethylphenyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone?
(4-methoxy-2,6-dimethylphenyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone has a molecular weight of 301.43 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-2,6-dimethylphenyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone is sourced from PubChem (CID 171940656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).