12-[(4-methoxyphenyl)methyl]-10-methyl-12-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene

C20H23NO — CID 156565462

IUPAC12-[(4-methoxyphenyl)methyl]-10-methyl-12-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene
SMILESCOc1ccc(CN2C3CC(C)CC2c2ccccc23)cc1
InChIInChI=1S/C20H23NO/c1-14-11-19-17-5-3-4-6-18(17)20(12-14)21(19)13-15-7-9-16(22-2)10-8-15/h3-10,14,19-20H,11-13H2,1-2H3
InChIKeyGNTJWMWLJNRMSK-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.72
Rot. Bonds3

About 12-[(4-methoxyphenyl)methyl]-10-methyl-12-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene

12-[(4-methoxyphenyl)methyl]-10-methyl-12-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene (PubChem CID 156565462) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is 12-[(4-methoxyphenyl)methyl]-10-methyl-12-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene.

Molecular Properties

Compound Name12-[(4-methoxyphenyl)methyl]-10-methyl-12-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene
PubChem CID156565462
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name12-[(4-methoxyphenyl)methyl]-10-methyl-12-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene
SMILESCOc1ccc(CN2C3CC(C)CC2c2ccccc23)cc1
InChIInChI=1S/C20H23NO/c1-14-11-19-17-5-3-4-6-18(17)20(12-14)21(19)13-15-7-9-16(22-2)10-8-15/h3-10,14,19-20H,11-13H2,1-2H3
InChIKeyGNTJWMWLJNRMSK-UHFFFAOYSA-N
XLogP4.72
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 12-[(4-methoxyphenyl)methyl]-10-methyl-12-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene with MolForge

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Related Compounds

1-[(4-methoxyphenyl)methyl]-2,6-dimethylpiperidin-4-one
CID 134307745
12-[(4-methoxyphenyl)methyl]-10-methyl-12-azatricyclo[6.3.1.02,7]dodeca-2,4,6,10-tetraen-9-one
CID 156565525
(4S)-2-[(4-methoxyphenyl)methyl]-4-methyl-1,2,5-thiadiazolidine
CID 145440473
4-[(4-methoxyphenyl)methyl]-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaene
CID 68764179
1-(4-benzyl-3,5-dimethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethanone
CID 110393885
2-[(4-methoxyphenyl)methyl]-1,3-dihydroisoindole-1-carbonitrile
CID 118491048
(4-methoxyphenyl)methyl-phenyliodanium
CID 22385450
3-methoxy-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one
CID 3653878
2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine
CID 20895862
1-[(1S,2aR,8bR)-1-(hydroxymethyl)-2-[(4-methoxyphenyl)methyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-2-methoxyethanone
CID 54653537
1-[(4-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114335986
(2S,3R)-2-(2-fluorophenyl)-1-[(4-methoxyphenyl)methyl]piperidin-3-amine
CID 92595912

Frequently Asked Questions

What is the IUPAC name of 12-[(4-methoxyphenyl)methyl]-10-methyl-12-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene?
The IUPAC name of 12-[(4-methoxyphenyl)methyl]-10-methyl-12-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene (CID 156565462) is 12-[(4-methoxyphenyl)methyl]-10-methyl-12-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene.
What is the SMILES notation for 12-[(4-methoxyphenyl)methyl]-10-methyl-12-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene?
The canonical SMILES for 12-[(4-methoxyphenyl)methyl]-10-methyl-12-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene is COc1ccc(CN2C3CC(C)CC2c2ccccc23)cc1.
What is the InChIKey of 12-[(4-methoxyphenyl)methyl]-10-methyl-12-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene?
The InChIKey is GNTJWMWLJNRMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO/c1-14-11-19-17-5-3-4-6-18(17)20(12-14)21(19)13-15-7-9-16(22-2)10-8-15/h3-10,14,19-20H,11-13H2,1-2H3.
What are the key properties of 12-[(4-methoxyphenyl)methyl]-10-methyl-12-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene?
12-[(4-methoxyphenyl)methyl]-10-methyl-12-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene has a molecular weight of 293.41 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[(4-methoxyphenyl)methyl]-10-methyl-12-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene is sourced from PubChem (CID 156565462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).