(1R)-1,13-dimethyl-4-phenyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene

C20H23N — CID 126493828

IUPAC(1R)-1,13-dimethyl-4-phenyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
SMILESCC1C2Cc3ccc(-c4ccccc4)cc3[C@]1(C)CCN2
InChIInChI=1S/C20H23N/c1-14-19-13-17-9-8-16(15-6-4-3-5-7-15)12-18(17)20(14,2)10-11-21-19/h3-9,12,14,19,21H,10-11,13H2,1-2H3/t14?,19?,20-/m1/s1
InChIKeyIIJJCHIMEGMJPE-OJISFJIHSA-N
MW277.41 g/mol
LogP4.17
Rot. Bonds1

About (1R)-1,13-dimethyl-4-phenyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene

(1R)-1,13-dimethyl-4-phenyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene (PubChem CID 126493828) has the molecular formula C20H23N and a molecular weight of 277.41 g/mol. Its IUPAC name is (1R)-1,13-dimethyl-4-phenyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene.

Molecular Properties

Compound Name(1R)-1,13-dimethyl-4-phenyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
PubChem CID126493828
Molecular FormulaC20H23N
Molecular Weight277.41 g/mol
Exact Mass277.18
IUPAC Name(1R)-1,13-dimethyl-4-phenyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
SMILESCC1C2Cc3ccc(-c4ccccc4)cc3[C@]1(C)CCN2
InChIInChI=1S/C20H23N/c1-14-19-13-17-9-8-16(15-6-4-3-5-7-15)12-18(17)20(14,2)10-11-21-19/h3-9,12,14,19,21H,10-11,13H2,1-2H3/t14?,19?,20-/m1/s1
InChIKeyIIJJCHIMEGMJPE-OJISFJIHSA-N
XLogP4.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-1,13-dimethyl-4-phenyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene?
The IUPAC name of (1R)-1,13-dimethyl-4-phenyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene (CID 126493828) is (1R)-1,13-dimethyl-4-phenyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene.
What is the SMILES notation for (1R)-1,13-dimethyl-4-phenyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene?
The canonical SMILES for (1R)-1,13-dimethyl-4-phenyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene is CC1C2Cc3ccc(-c4ccccc4)cc3[C@]1(C)CCN2.
What is the InChIKey of (1R)-1,13-dimethyl-4-phenyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene?
The InChIKey is IIJJCHIMEGMJPE-OJISFJIHSA-N. The full InChI is InChI=1S/C20H23N/c1-14-19-13-17-9-8-16(15-6-4-3-5-7-15)12-18(17)20(14,2)10-11-21-19/h3-9,12,14,19,21H,10-11,13H2,1-2H3/t14?,19?,20-/m1/s1.
What are the key properties of (1R)-1,13-dimethyl-4-phenyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene?
(1R)-1,13-dimethyl-4-phenyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene has a molecular weight of 277.41 g/mol, XLogP of 4.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1,13-dimethyl-4-phenyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene is sourced from PubChem (CID 126493828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).