(11S)-11-methyl-10-(2-methylphenyl)-1,10-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene

C19H22N2 — CID 137454239

IUPAC(11S)-11-methyl-10-(2-methylphenyl)-1,10-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene
SMILESCc1ccccc1N1C2CCN(c3ccccc3C2)[C@@H]1C
InChIInChI=1S/C19H22N2/c1-14-7-3-5-9-18(14)21-15(2)20-12-11-17(21)13-16-8-4-6-10-19(16)20/h3-10,15,17H,11-13H2,1-2H3/t15-,17?/m0/s1
InChIKeyPBEZSBBVXUFPAU-MYJWUSKBSA-N
MW278.40 g/mol
LogP3.98
Rot. Bonds1

About (11S)-11-methyl-10-(2-methylphenyl)-1,10-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene

(11S)-11-methyl-10-(2-methylphenyl)-1,10-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene (PubChem CID 137454239) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (11S)-11-methyl-10-(2-methylphenyl)-1,10-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene.

Molecular Properties

Compound Name(11S)-11-methyl-10-(2-methylphenyl)-1,10-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene
PubChem CID137454239
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name(11S)-11-methyl-10-(2-methylphenyl)-1,10-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene
SMILESCc1ccccc1N1C2CCN(c3ccccc3C2)[C@@H]1C
InChIInChI=1S/C19H22N2/c1-14-7-3-5-9-18(14)21-15(2)20-12-11-17(21)13-16-8-4-6-10-19(16)20/h3-10,15,17H,11-13H2,1-2H3/t15-,17?/m0/s1
InChIKeyPBEZSBBVXUFPAU-MYJWUSKBSA-N
XLogP3.98
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (11S)-11-methyl-10-(2-methylphenyl)-1,10-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene with MolForge

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Related Compounds

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(11S)-11-methyl-10-(2-methyl-9-phenylcarbazol-3-yl)-1,10-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene
CID 137454500
2,7-dimethyl-8-[(11S)-11-methyl-1,10-diazatricyclo[7.2.2.02,7]trideca-2,4,6-trien-10-yl]-[1]benzofuro[2,3-b]pyridine
CID 137454333
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2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-3-amine
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Frequently Asked Questions

What is the IUPAC name of (11S)-11-methyl-10-(2-methylphenyl)-1,10-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene?
The IUPAC name of (11S)-11-methyl-10-(2-methylphenyl)-1,10-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene (CID 137454239) is (11S)-11-methyl-10-(2-methylphenyl)-1,10-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene.
What is the SMILES notation for (11S)-11-methyl-10-(2-methylphenyl)-1,10-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene?
The canonical SMILES for (11S)-11-methyl-10-(2-methylphenyl)-1,10-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene is Cc1ccccc1N1C2CCN(c3ccccc3C2)[C@@H]1C.
What is the InChIKey of (11S)-11-methyl-10-(2-methylphenyl)-1,10-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene?
The InChIKey is PBEZSBBVXUFPAU-MYJWUSKBSA-N. The full InChI is InChI=1S/C19H22N2/c1-14-7-3-5-9-18(14)21-15(2)20-12-11-17(21)13-16-8-4-6-10-19(16)20/h3-10,15,17H,11-13H2,1-2H3/t15-,17?/m0/s1.
What are the key properties of (11S)-11-methyl-10-(2-methylphenyl)-1,10-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene?
(11S)-11-methyl-10-(2-methylphenyl)-1,10-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene has a molecular weight of 278.40 g/mol, XLogP of 3.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (11S)-11-methyl-10-(2-methylphenyl)-1,10-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene is sourced from PubChem (CID 137454239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).