(7Z)-1-[2-(4-benzylphenoxy)ethyl]-2H-azocine

C22H23NO — CID 173240894

IUPAC(7Z)-1-[2-(4-benzylphenoxy)ethyl]-2H-azocine
SMILESC1=C/C=C\N(CCOc2ccc(Cc3ccccc3)cc2)CC=C1
InChIInChI=1S/C22H23NO/c1-2-7-15-23(16-8-3-1)17-18-24-22-13-11-21(12-14-22)19-20-9-5-4-6-10-20/h1-15H,16-19H2/b2-1?,8-3?,15-7-
InChIKeyLFPIBZLAEMTHGO-JSHGRIADSA-N
MW317.43 g/mol
LogP4.60
Rot. Bonds6

About (7Z)-1-[2-(4-benzylphenoxy)ethyl]-2H-azocine

(7Z)-1-[2-(4-benzylphenoxy)ethyl]-2H-azocine (PubChem CID 173240894) has the molecular formula C22H23NO and a molecular weight of 317.43 g/mol. Its IUPAC name is (7Z)-1-[2-(4-benzylphenoxy)ethyl]-2H-azocine.

Molecular Properties

Compound Name(7Z)-1-[2-(4-benzylphenoxy)ethyl]-2H-azocine
PubChem CID173240894
Molecular FormulaC22H23NO
Molecular Weight317.43 g/mol
Exact Mass317.18
IUPAC Name(7Z)-1-[2-(4-benzylphenoxy)ethyl]-2H-azocine
SMILESC1=C/C=C\N(CCOc2ccc(Cc3ccccc3)cc2)CC=C1
InChIInChI=1S/C22H23NO/c1-2-7-15-23(16-8-3-1)17-18-24-22-13-11-21(12-14-22)19-20-9-5-4-6-10-20/h1-15H,16-19H2/b2-1?,8-3?,15-7-
InChIKeyLFPIBZLAEMTHGO-JSHGRIADSA-N
XLogP4.60
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-benzylphenoxy)ethyl]-2,6-dimethylpiperidine
CID 10711066
1-[2-[4-[[2-(3-chlorophenyl)-6-methoxynaphthalen-1-yl]methyl]phenoxy]ethyl]-2H-pyridine
CID 70005826
1-[3-(4-benzylphenoxy)propyl]-4-methylpiperazine
CID 2994905
2-[2-(4-benzylphenoxy)ethyl]-2-azabicyclo[2.2.1]heptane
CID 23553311
5-benzyl-2-(2-phenoxyethyl)-1H-pyrazol-3-one
CID 22769268
(4-benzylphenoxy)methanamine
CID 67208849
1-[2-[2-(4-benzylphenoxy)ethoxy]ethyl]-4-methylpiperazine;hydrochloride
CID 2995910
3-[2-(4-benzylphenoxy)ethyl]azetidine
CID 107391708
5-[2-(4-benzylphenoxy)ethyl]imidazo[4,5-c]pyridine;hydrate
CID 68586836
1-benzyl-4-[(4-chlorophenyl)methoxy]benzene
CID 54328540
trans-(1S,2R)-2-[(4-benzylphenoxy)methyl]cyclopentan-1-amine;hydrochloride
CID 67574078
1-benzyl-4-(3-propoxypropoxy)benzene
CID 14353109

Frequently Asked Questions

What is the IUPAC name of (7Z)-1-[2-(4-benzylphenoxy)ethyl]-2H-azocine?
The IUPAC name of (7Z)-1-[2-(4-benzylphenoxy)ethyl]-2H-azocine (CID 173240894) is (7Z)-1-[2-(4-benzylphenoxy)ethyl]-2H-azocine.
What is the SMILES notation for (7Z)-1-[2-(4-benzylphenoxy)ethyl]-2H-azocine?
The canonical SMILES for (7Z)-1-[2-(4-benzylphenoxy)ethyl]-2H-azocine is C1=C/C=C\N(CCOc2ccc(Cc3ccccc3)cc2)CC=C1.
What is the InChIKey of (7Z)-1-[2-(4-benzylphenoxy)ethyl]-2H-azocine?
The InChIKey is LFPIBZLAEMTHGO-JSHGRIADSA-N. The full InChI is InChI=1S/C22H23NO/c1-2-7-15-23(16-8-3-1)17-18-24-22-13-11-21(12-14-22)19-20-9-5-4-6-10-20/h1-15H,16-19H2/b2-1?,8-3?,15-7-.
What are the key properties of (7Z)-1-[2-(4-benzylphenoxy)ethyl]-2H-azocine?
(7Z)-1-[2-(4-benzylphenoxy)ethyl]-2H-azocine has a molecular weight of 317.43 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-1-[2-(4-benzylphenoxy)ethyl]-2H-azocine is sourced from PubChem (CID 173240894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).