(1R,12R)-3,10-dimethyl-12-phenyl-3,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene

C19H22N2 — CID 10446286

IUPAC(1R,12R)-3,10-dimethyl-12-phenyl-3,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
SMILESCN1Cc2cccc3c2[C@H](CN3C)[C@H](c2ccccc2)C1
InChIInChI=1S/C19H22N2/c1-20-11-15-9-6-10-18-19(15)17(13-21(18)2)16(12-20)14-7-4-3-5-8-14/h3-10,16-17H,11-13H2,1-2H3/t16-,17+/m0/s1
InChIKeyZFKGXUBXVAMMIF-DLBZAZTESA-N
MW278.40 g/mol
LogP3.45
Rot. Bonds1

About (1R,12R)-3,10-dimethyl-12-phenyl-3,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene

(1R,12R)-3,10-dimethyl-12-phenyl-3,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene (PubChem CID 10446286) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (1R,12R)-3,10-dimethyl-12-phenyl-3,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene.

Molecular Properties

Compound Name(1R,12R)-3,10-dimethyl-12-phenyl-3,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
PubChem CID10446286
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name(1R,12R)-3,10-dimethyl-12-phenyl-3,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
SMILESCN1Cc2cccc3c2[C@H](CN3C)[C@H](c2ccccc2)C1
InChIInChI=1S/C19H22N2/c1-20-11-15-9-6-10-18-19(15)17(13-21(18)2)16(12-20)14-7-4-3-5-8-14/h3-10,16-17H,11-13H2,1-2H3/t16-,17+/m0/s1
InChIKeyZFKGXUBXVAMMIF-DLBZAZTESA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 4067062
(3S)-1,3-dimethyl-3,4-dihydro-2H-quinoline
CID 40526138
(3R,4R)-1-methyl-3-phenylpiperidin-4-amine
CID 96750295
1-methyl-3-phenylpiperidin-4-ol;hydrochloride
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1-methyl-3-phenyl-4-phenylsulfanylpiperidine
CID 12788478
(4R)-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-ol
CID 71497499
(4R)-5-iodo-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol
CID 97455914
2,5-dimethyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline
CID 68993738
trimethyl-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)silane
CID 13058280
1,3-dimethyl-2-phenyl-2,4-dihydroquinazoline
CID 102219318
(4S)-4-(4-fluorophenyl)-2,5-dimethyl-3,4-dihydro-1H-isoquinoline
CID 71497428

Frequently Asked Questions

What is the IUPAC name of (1R,12R)-3,10-dimethyl-12-phenyl-3,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene?
The IUPAC name of (1R,12R)-3,10-dimethyl-12-phenyl-3,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene (CID 10446286) is (1R,12R)-3,10-dimethyl-12-phenyl-3,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene.
What is the SMILES notation for (1R,12R)-3,10-dimethyl-12-phenyl-3,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene?
The canonical SMILES for (1R,12R)-3,10-dimethyl-12-phenyl-3,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene is CN1Cc2cccc3c2[C@H](CN3C)[C@H](c2ccccc2)C1.
What is the InChIKey of (1R,12R)-3,10-dimethyl-12-phenyl-3,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene?
The InChIKey is ZFKGXUBXVAMMIF-DLBZAZTESA-N. The full InChI is InChI=1S/C19H22N2/c1-20-11-15-9-6-10-18-19(15)17(13-21(18)2)16(12-20)14-7-4-3-5-8-14/h3-10,16-17H,11-13H2,1-2H3/t16-,17+/m0/s1.
What are the key properties of (1R,12R)-3,10-dimethyl-12-phenyl-3,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene?
(1R,12R)-3,10-dimethyl-12-phenyl-3,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene has a molecular weight of 278.40 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,12R)-3,10-dimethyl-12-phenyl-3,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene is sourced from PubChem (CID 10446286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).