2-methyl-5,6-diphenyl-3,4,5,6-tetrahydro-1H-2-benzazocine

C24H25N — CID 4067062

IUPAC2-methyl-5,6-diphenyl-3,4,5,6-tetrahydro-1H-2-benzazocine
SMILESCN1CCC(c2ccccc2)C(c2ccccc2)c2ccccc2C1
InChIInChI=1S/C24H25N/c1-25-17-16-23(19-10-4-2-5-11-19)24(20-12-6-3-7-13-20)22-15-9-8-14-21(22)18-25/h2-15,23-24H,16-18H2,1H3
InChIKeySNUVBTJYLUPNFL-UHFFFAOYSA-N
MW327.47 g/mol
LogP5.44
Rot. Bonds2

About 2-methyl-5,6-diphenyl-3,4,5,6-tetrahydro-1H-2-benzazocine

2-methyl-5,6-diphenyl-3,4,5,6-tetrahydro-1H-2-benzazocine (PubChem CID 4067062) has the molecular formula C24H25N and a molecular weight of 327.47 g/mol. Its IUPAC name is 2-methyl-5,6-diphenyl-3,4,5,6-tetrahydro-1H-2-benzazocine.

Molecular Properties

Compound Name2-methyl-5,6-diphenyl-3,4,5,6-tetrahydro-1H-2-benzazocine
PubChem CID4067062
Molecular FormulaC24H25N
Molecular Weight327.47 g/mol
Exact Mass327.20
IUPAC Name2-methyl-5,6-diphenyl-3,4,5,6-tetrahydro-1H-2-benzazocine
SMILESCN1CCC(c2ccccc2)C(c2ccccc2)c2ccccc2C1
InChIInChI=1S/C24H25N/c1-25-17-16-23(19-10-4-2-5-11-19)24(20-12-6-3-7-13-20)22-15-9-8-14-21(22)18-25/h2-15,23-24H,16-18H2,1H3
InChIKeySNUVBTJYLUPNFL-UHFFFAOYSA-N
XLogP5.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.47
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5,6-diphenyl-3,4,5,6-tetrahydro-1H-2-benzazocine?
The IUPAC name of 2-methyl-5,6-diphenyl-3,4,5,6-tetrahydro-1H-2-benzazocine (CID 4067062) is 2-methyl-5,6-diphenyl-3,4,5,6-tetrahydro-1H-2-benzazocine.
What is the SMILES notation for 2-methyl-5,6-diphenyl-3,4,5,6-tetrahydro-1H-2-benzazocine?
The canonical SMILES for 2-methyl-5,6-diphenyl-3,4,5,6-tetrahydro-1H-2-benzazocine is CN1CCC(c2ccccc2)C(c2ccccc2)c2ccccc2C1.
What is the InChIKey of 2-methyl-5,6-diphenyl-3,4,5,6-tetrahydro-1H-2-benzazocine?
The InChIKey is SNUVBTJYLUPNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N/c1-25-17-16-23(19-10-4-2-5-11-19)24(20-12-6-3-7-13-20)22-15-9-8-14-21(22)18-25/h2-15,23-24H,16-18H2,1H3.
What are the key properties of 2-methyl-5,6-diphenyl-3,4,5,6-tetrahydro-1H-2-benzazocine?
2-methyl-5,6-diphenyl-3,4,5,6-tetrahydro-1H-2-benzazocine has a molecular weight of 327.47 g/mol, XLogP of 5.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5,6-diphenyl-3,4,5,6-tetrahydro-1H-2-benzazocine is sourced from PubChem (CID 4067062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).