(2E,6Z)-3,6-dimethyl-8-(2-phenylethyl)-4,5-dihydroazocine

C17H21N — CID 88952691

IUPAC(2E,6Z)-3,6-dimethyl-8-(2-phenylethyl)-4,5-dihydroazocine
SMILESC/C1=C/N=C(CCc2ccccc2)\C=C(\C)CC1
InChIInChI=1S/C17H21N/c1-14-8-9-15(2)13-18-17(12-14)11-10-16-6-4-3-5-7-16/h3-7,12-13H,8-11H2,1-2H3/b14-12-,15-13-,18-17-
InChIKeyOSFHCAUWUIIAFG-PRJAHTBZSA-N
MW239.36 g/mol
LogP4.70
Rot. Bonds3

About (2E,6Z)-3,6-dimethyl-8-(2-phenylethyl)-4,5-dihydroazocine

(2E,6Z)-3,6-dimethyl-8-(2-phenylethyl)-4,5-dihydroazocine (PubChem CID 88952691) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is (2E,6Z)-3,6-dimethyl-8-(2-phenylethyl)-4,5-dihydroazocine.

Molecular Properties

Compound Name(2E,6Z)-3,6-dimethyl-8-(2-phenylethyl)-4,5-dihydroazocine
PubChem CID88952691
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name(2E,6Z)-3,6-dimethyl-8-(2-phenylethyl)-4,5-dihydroazocine
SMILESC/C1=C/N=C(CCc2ccccc2)\C=C(\C)CC1
InChIInChI=1S/C17H21N/c1-14-8-9-15(2)13-18-17(12-14)11-10-16-6-4-3-5-7-16/h3-7,12-13H,8-11H2,1-2H3/b14-12-,15-13-,18-17-
InChIKeyOSFHCAUWUIIAFG-PRJAHTBZSA-N
XLogP4.70
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2E,6Z)-3,6-dimethyl-8-(2-phenylethyl)-4,5-dihydroazocine?
The IUPAC name of (2E,6Z)-3,6-dimethyl-8-(2-phenylethyl)-4,5-dihydroazocine (CID 88952691) is (2E,6Z)-3,6-dimethyl-8-(2-phenylethyl)-4,5-dihydroazocine.
What is the SMILES notation for (2E,6Z)-3,6-dimethyl-8-(2-phenylethyl)-4,5-dihydroazocine?
The canonical SMILES for (2E,6Z)-3,6-dimethyl-8-(2-phenylethyl)-4,5-dihydroazocine is C/C1=C/N=C(CCc2ccccc2)\C=C(\C)CC1.
What is the InChIKey of (2E,6Z)-3,6-dimethyl-8-(2-phenylethyl)-4,5-dihydroazocine?
The InChIKey is OSFHCAUWUIIAFG-PRJAHTBZSA-N. The full InChI is InChI=1S/C17H21N/c1-14-8-9-15(2)13-18-17(12-14)11-10-16-6-4-3-5-7-16/h3-7,12-13H,8-11H2,1-2H3/b14-12-,15-13-,18-17-.
What are the key properties of (2E,6Z)-3,6-dimethyl-8-(2-phenylethyl)-4,5-dihydroazocine?
(2E,6Z)-3,6-dimethyl-8-(2-phenylethyl)-4,5-dihydroazocine has a molecular weight of 239.36 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6Z)-3,6-dimethyl-8-(2-phenylethyl)-4,5-dihydroazocine is sourced from PubChem (CID 88952691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).