(7E)-7-methoxy-8-phenyl-3,4,5,6-tetrahydroazocine

C14H17NO — CID 134989630

IUPAC(7E)-7-methoxy-8-phenyl-3,4,5,6-tetrahydroazocine
SMILESCO/C1=C(c2ccccc2)/N=C\CCCC1
InChIInChI=1S/C14H17NO/c1-16-13-10-6-3-7-11-15-14(13)12-8-4-2-5-9-12/h2,4-5,8-9,11H,3,6-7,10H2,1H3/b14-13+,15-11-
InChIKeyKTVMPPGDELVNSP-GOUWLZIJSA-N
MW215.30 g/mol
LogP3.65
Rot. Bonds2

About (7E)-7-methoxy-8-phenyl-3,4,5,6-tetrahydroazocine

(7E)-7-methoxy-8-phenyl-3,4,5,6-tetrahydroazocine (PubChem CID 134989630) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is (7E)-7-methoxy-8-phenyl-3,4,5,6-tetrahydroazocine.

Molecular Properties

Compound Name(7E)-7-methoxy-8-phenyl-3,4,5,6-tetrahydroazocine
PubChem CID134989630
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name(7E)-7-methoxy-8-phenyl-3,4,5,6-tetrahydroazocine
SMILESCO/C1=C(c2ccccc2)/N=C\CCCC1
InChIInChI=1S/C14H17NO/c1-16-13-10-6-3-7-11-15-14(13)12-8-4-2-5-9-12/h2,4-5,8-9,11H,3,6-7,10H2,1H3/b14-13+,15-11-
InChIKeyKTVMPPGDELVNSP-GOUWLZIJSA-N
XLogP3.65
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7E)-7-methoxy-8-phenyl-3,4,5,6-tetrahydroazocine?
The IUPAC name of (7E)-7-methoxy-8-phenyl-3,4,5,6-tetrahydroazocine (CID 134989630) is (7E)-7-methoxy-8-phenyl-3,4,5,6-tetrahydroazocine.
What is the SMILES notation for (7E)-7-methoxy-8-phenyl-3,4,5,6-tetrahydroazocine?
The canonical SMILES for (7E)-7-methoxy-8-phenyl-3,4,5,6-tetrahydroazocine is CO/C1=C(c2ccccc2)/N=C\CCCC1.
What is the InChIKey of (7E)-7-methoxy-8-phenyl-3,4,5,6-tetrahydroazocine?
The InChIKey is KTVMPPGDELVNSP-GOUWLZIJSA-N. The full InChI is InChI=1S/C14H17NO/c1-16-13-10-6-3-7-11-15-14(13)12-8-4-2-5-9-12/h2,4-5,8-9,11H,3,6-7,10H2,1H3/b14-13+,15-11-.
What are the key properties of (7E)-7-methoxy-8-phenyl-3,4,5,6-tetrahydroazocine?
(7E)-7-methoxy-8-phenyl-3,4,5,6-tetrahydroazocine has a molecular weight of 215.30 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-7-methoxy-8-phenyl-3,4,5,6-tetrahydroazocine is sourced from PubChem (CID 134989630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).