5-methyl-11,12-dihydro-10H-benzo[b][1]benzazocine

C16H17N — CID 58892341

IUPAC5-methyl-11,12-dihydro-10H-benzo[b][1]benzazocine
SMILESCN1c2ccccc2CCCc2ccccc21
InChIInChI=1S/C16H17N/c1-17-15-11-4-2-7-13(15)9-6-10-14-8-3-5-12-16(14)17/h2-5,7-8,11-12H,6,9-10H2,1H3
InChIKeyKASHGDVGIJLDBO-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.94
Rot. Bonds

About 5-methyl-11,12-dihydro-10H-benzo[b][1]benzazocine

5-methyl-11,12-dihydro-10H-benzo[b][1]benzazocine (PubChem CID 58892341) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is 5-methyl-11,12-dihydro-10H-benzo[b][1]benzazocine.

Molecular Properties

Compound Name5-methyl-11,12-dihydro-10H-benzo[b][1]benzazocine
PubChem CID58892341
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Name5-methyl-11,12-dihydro-10H-benzo[b][1]benzazocine
SMILESCN1c2ccccc2CCCc2ccccc21
InChIInChI=1S/C16H17N/c1-17-15-11-4-2-7-13(15)9-6-10-14-8-3-5-12-16(14)17/h2-5,7-8,11-12H,6,9-10H2,1H3
InChIKeyKASHGDVGIJLDBO-UHFFFAOYSA-N
XLogP3.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-tert-butyl-11,12-dihydro-10H-benzo[b][1]benzazocine
CID 147804034
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CID 91236662
methane;1-methyl-3,4-dihydro-2H-quinoline
CID 158932753
methane;1-methyl-2,3,4,5-tetrahydro-1-benzazepine
CID 161272103
1-fluoro-3,4-dihydro-2H-quinoline
CID 141340619
8-methyl-8-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaen-9-one
CID 46930002
5-methyl-11,12-dihydrobenzo[c][1]benzazocin-6-one
CID 13447635
2,3-dihydro-1H-indene;methane
CID 158581717
2,3-dihydro-1H-indene;tetrahydrochloride
CID 175293615
1-trimethylsilyl-4,5-dihydro-3H-1-benzazepin-2-one
CID 134893395
2,3-dihydro-1H-indene;2-methylpropane
CID 91244867
2,3-dihydro-1H-indene;2,2-dimethylpropane
CID 91306466

Frequently Asked Questions

What is the IUPAC name of 5-methyl-11,12-dihydro-10H-benzo[b][1]benzazocine?
The IUPAC name of 5-methyl-11,12-dihydro-10H-benzo[b][1]benzazocine (CID 58892341) is 5-methyl-11,12-dihydro-10H-benzo[b][1]benzazocine.
What is the SMILES notation for 5-methyl-11,12-dihydro-10H-benzo[b][1]benzazocine?
The canonical SMILES for 5-methyl-11,12-dihydro-10H-benzo[b][1]benzazocine is CN1c2ccccc2CCCc2ccccc21.
What is the InChIKey of 5-methyl-11,12-dihydro-10H-benzo[b][1]benzazocine?
The InChIKey is KASHGDVGIJLDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N/c1-17-15-11-4-2-7-13(15)9-6-10-14-8-3-5-12-16(14)17/h2-5,7-8,11-12H,6,9-10H2,1H3.
What are the key properties of 5-methyl-11,12-dihydro-10H-benzo[b][1]benzazocine?
5-methyl-11,12-dihydro-10H-benzo[b][1]benzazocine has a molecular weight of 223.32 g/mol, XLogP of 3.94, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-11,12-dihydro-10H-benzo[b][1]benzazocine is sourced from PubChem (CID 58892341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).