5,11-dimethyl-11,12-dihydro-6H-benzo[c][1]benzazocine

C17H19N — CID 170259427

IUPAC5,11-dimethyl-11,12-dihydro-6H-benzo[c][1]benzazocine
SMILESCC1Cc2ccccc2N(C)Cc2ccccc21
InChIInChI=1S/C17H19N/c1-13-11-14-7-4-6-10-17(14)18(2)12-15-8-3-5-9-16(13)15/h3-10,13H,11-12H2,1-2H3
InChIKeyBFCHVGARLQNLME-UHFFFAOYSA-N
MW237.35 g/mol
LogP3.98
Rot. Bonds

About 5,11-dimethyl-11,12-dihydro-6H-benzo[c][1]benzazocine

5,11-dimethyl-11,12-dihydro-6H-benzo[c][1]benzazocine (PubChem CID 170259427) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is 5,11-dimethyl-11,12-dihydro-6H-benzo[c][1]benzazocine.

Molecular Properties

Compound Name5,11-dimethyl-11,12-dihydro-6H-benzo[c][1]benzazocine
PubChem CID170259427
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Name5,11-dimethyl-11,12-dihydro-6H-benzo[c][1]benzazocine
SMILESCC1Cc2ccccc2N(C)Cc2ccccc21
InChIInChI=1S/C17H19N/c1-13-11-14-7-4-6-10-17(14)18(2)12-15-8-3-5-9-16(13)15/h3-10,13H,11-12H2,1-2H3
InChIKeyBFCHVGARLQNLME-UHFFFAOYSA-N
XLogP3.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5,11-dimethyl-11,12-dihydro-6H-benzo[c][1]benzazocine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1,3-dimethyl-3,4-dihydro-2H-quinoline
CID 40526138
2,5-dimethyl-1,3,4,5-tetrahydro-2-benzazepine
CID 58975935
(4S)-2,4-dimethyl-4,5-dihydro-1H-2-benzazepin-3-one
CID 163242327
2,4-dimethyl-1,4-dihydroisoquinolin-3-one;ethane
CID 142177778
1,2-dimethyl-1,3-dihydroisoindole
CID 14708634
(3S)-1,3-dimethyl-2,3-dihydroindole
CID 126732143
4,9-dimethyl-4,5,9,10-tetrahydropyrene
CID 162152036
2,5-dimethyl-4-(methylamino)-4,5-dihydro-1H-2-benzazepin-3-one
CID 23554417
ethane;5-methyl-5,6-dihydrobenzo[b][1]benzothiepine
CID 90870918
8-chloro-5,11-dimethyl-6,11-dihydrobenzo[c][1]benzazepine
CID 163239944
(3R)-1-methyl-3-propan-2-yl-3,4-dihydro-2H-quinoline
CID 140914028
4-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline
CID 110457310

Frequently Asked Questions

What is the IUPAC name of 5,11-dimethyl-11,12-dihydro-6H-benzo[c][1]benzazocine?
The IUPAC name of 5,11-dimethyl-11,12-dihydro-6H-benzo[c][1]benzazocine (CID 170259427) is 5,11-dimethyl-11,12-dihydro-6H-benzo[c][1]benzazocine.
What is the SMILES notation for 5,11-dimethyl-11,12-dihydro-6H-benzo[c][1]benzazocine?
The canonical SMILES for 5,11-dimethyl-11,12-dihydro-6H-benzo[c][1]benzazocine is CC1Cc2ccccc2N(C)Cc2ccccc21.
What is the InChIKey of 5,11-dimethyl-11,12-dihydro-6H-benzo[c][1]benzazocine?
The InChIKey is BFCHVGARLQNLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N/c1-13-11-14-7-4-6-10-17(14)18(2)12-15-8-3-5-9-16(13)15/h3-10,13H,11-12H2,1-2H3.
What are the key properties of 5,11-dimethyl-11,12-dihydro-6H-benzo[c][1]benzazocine?
5,11-dimethyl-11,12-dihydro-6H-benzo[c][1]benzazocine has a molecular weight of 237.35 g/mol, XLogP of 3.98, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-dimethyl-11,12-dihydro-6H-benzo[c][1]benzazocine is sourced from PubChem (CID 170259427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).