10-benzyl-6-methoxy-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene;6-methoxy-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene

C35H44N2O2 — CID 158498802

IUPAC10-benzyl-6-methoxy-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene;6-methoxy-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
SMILESCOc1cccc2c1CC1CC2(C)CCN1.COc1cccc2c1CC1CC2(C)CCN1Cc1ccccc1
InChIInChI=1S/C21H25NO.C14H19NO/c1-21-11-12-22(15-16-7-4-3-5-8-16)17(14-21)13-18-19(21)9-6-10-20(18)23-2;1-14-6-7-15-10(9-14)8-11-12(14)4-3-5-13(11)16-2/h3-10,17H,11-15H2,1-2H3;3-5,10,15H,6-9H2,1-2H3
InChIKeyHJQACGBWKRVBNY-UHFFFAOYSA-N
MW524.75 g/mol
LogP6.43
Rot. Bonds4

About 10-benzyl-6-methoxy-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene;6-methoxy-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene

10-benzyl-6-methoxy-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene;6-methoxy-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene (PubChem CID 158498802) has the molecular formula C35H44N2O2 and a molecular weight of 524.75 g/mol. Its IUPAC name is 10-benzyl-6-methoxy-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene;6-methoxy-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene.

Molecular Properties

Compound Name10-benzyl-6-methoxy-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene;6-methoxy-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
PubChem CID158498802
Molecular FormulaC35H44N2O2
Molecular Weight524.75 g/mol
Exact Mass524.34
IUPAC Name10-benzyl-6-methoxy-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene;6-methoxy-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
SMILESCOc1cccc2c1CC1CC2(C)CCN1.COc1cccc2c1CC1CC2(C)CCN1Cc1ccccc1
InChIInChI=1S/C21H25NO.C14H19NO/c1-21-11-12-22(15-16-7-4-3-5-8-16)17(14-21)13-18-19(21)9-6-10-20(18)23-2;1-14-6-7-15-10(9-14)8-11-12(14)4-3-5-13(11)16-2/h3-10,17H,11-15H2,1-2H3;3-5,10,15H,6-9H2,1-2H3
InChIKeyHJQACGBWKRVBNY-UHFFFAOYSA-N
XLogP6.43
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.75
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 10-benzyl-6-methoxy-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene;6-methoxy-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene with MolForge

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Related Compounds

6-methoxy-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
CID 23383731
(3aR,9aR)-8-methoxy-3a,4,4-trimethyl-2,3,9,9a-tetrahydro-1H-benzo[f]indole
CID 54070919
(3aS,9aS)-1-benzyl-5-methoxy-2,3,3a,4,9,9a-hexahydrobenzo[f]indole
CID 10062998
(2R)-1-benzyl-2-(2,6-dimethoxyphenyl)pyrrolidine
CID 124500714
(3S)-1-benzyl-3-(2-methoxyphenyl)pyrrolidin-3-ol
CID 129372424
10-benzyl-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-6-ol
CID 66985207
(2-benzyl-2-azabicyclo[3.1.1]heptan-5-yl)methanol
CID 178002287
3-(2-methoxyphenyl)-2,3-dimethylpyrrolidine
CID 62354378
3-(2-methoxyphenyl)-3-methylpyrrolidine
CID 62354573
1-benzyl-4'-methoxyspiro[piperidine-4,9'-xanthene];hydrochloride
CID 70578492
4-(2-methoxyphenyl)-2-azabicyclo[2.1.1]hexane
CID 115017877
(1S,4S)-2-benzyl-5-(3-methoxy-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane
CID 18640952

Frequently Asked Questions

What is the IUPAC name of 10-benzyl-6-methoxy-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene;6-methoxy-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene?
The IUPAC name of 10-benzyl-6-methoxy-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene;6-methoxy-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene (CID 158498802) is 10-benzyl-6-methoxy-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene;6-methoxy-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene.
What is the SMILES notation for 10-benzyl-6-methoxy-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene;6-methoxy-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene?
The canonical SMILES for 10-benzyl-6-methoxy-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene;6-methoxy-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene is COc1cccc2c1CC1CC2(C)CCN1.COc1cccc2c1CC1CC2(C)CCN1Cc1ccccc1.
What is the InChIKey of 10-benzyl-6-methoxy-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene;6-methoxy-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene?
The InChIKey is HJQACGBWKRVBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO.C14H19NO/c1-21-11-12-22(15-16-7-4-3-5-8-16)17(14-21)13-18-19(21)9-6-10-20(18)23-2;1-14-6-7-15-10(9-14)8-11-12(14)4-3-5-13(11)16-2/h3-10,17H,11-15H2,1-2H3;3-5,10,15H,6-9H2,1-2H3.
What are the key properties of 10-benzyl-6-methoxy-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene;6-methoxy-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene?
10-benzyl-6-methoxy-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene;6-methoxy-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene has a molecular weight of 524.75 g/mol, XLogP of 6.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-benzyl-6-methoxy-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene;6-methoxy-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene is sourced from PubChem (CID 158498802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).