7-methyl-7-phenyl-2-phenylmethoxy-1,2,3,4,6,8,9,9a-octahydroquinolizine

C23H29NO — CID 42641916

IUPAC7-methyl-7-phenyl-2-phenylmethoxy-1,2,3,4,6,8,9,9a-octahydroquinolizine
SMILESCC1(c2ccccc2)CCC2CC(OCc3ccccc3)CCN2C1
InChIInChI=1S/C23H29NO/c1-23(20-10-6-3-7-11-20)14-12-21-16-22(13-15-24(21)18-23)25-17-19-8-4-2-5-9-19/h2-11,21-22H,12-18H2,1H3
InChIKeyXAJBWZYEMPZVPP-UHFFFAOYSA-N
MW335.49 g/mol
LogP4.79
Rot. Bonds4

About 7-methyl-7-phenyl-2-phenylmethoxy-1,2,3,4,6,8,9,9a-octahydroquinolizine

7-methyl-7-phenyl-2-phenylmethoxy-1,2,3,4,6,8,9,9a-octahydroquinolizine (PubChem CID 42641916) has the molecular formula C23H29NO and a molecular weight of 335.49 g/mol. Its IUPAC name is 7-methyl-7-phenyl-2-phenylmethoxy-1,2,3,4,6,8,9,9a-octahydroquinolizine.

Molecular Properties

Compound Name7-methyl-7-phenyl-2-phenylmethoxy-1,2,3,4,6,8,9,9a-octahydroquinolizine
PubChem CID42641916
Molecular FormulaC23H29NO
Molecular Weight335.49 g/mol
Exact Mass335.22
IUPAC Name7-methyl-7-phenyl-2-phenylmethoxy-1,2,3,4,6,8,9,9a-octahydroquinolizine
SMILESCC1(c2ccccc2)CCC2CC(OCc3ccccc3)CCN2C1
InChIInChI=1S/C23H29NO/c1-23(20-10-6-3-7-11-20)14-12-21-16-22(13-15-24(21)18-23)25-17-19-8-4-2-5-9-19/h2-11,21-22H,12-18H2,1H3
InChIKeyXAJBWZYEMPZVPP-UHFFFAOYSA-N
XLogP4.79
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-7-phenyl-2-phenylmethoxy-1,2,3,4,6,8,9,9a-octahydroquinolizine?
The IUPAC name of 7-methyl-7-phenyl-2-phenylmethoxy-1,2,3,4,6,8,9,9a-octahydroquinolizine (CID 42641916) is 7-methyl-7-phenyl-2-phenylmethoxy-1,2,3,4,6,8,9,9a-octahydroquinolizine.
What is the SMILES notation for 7-methyl-7-phenyl-2-phenylmethoxy-1,2,3,4,6,8,9,9a-octahydroquinolizine?
The canonical SMILES for 7-methyl-7-phenyl-2-phenylmethoxy-1,2,3,4,6,8,9,9a-octahydroquinolizine is CC1(c2ccccc2)CCC2CC(OCc3ccccc3)CCN2C1.
What is the InChIKey of 7-methyl-7-phenyl-2-phenylmethoxy-1,2,3,4,6,8,9,9a-octahydroquinolizine?
The InChIKey is XAJBWZYEMPZVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO/c1-23(20-10-6-3-7-11-20)14-12-21-16-22(13-15-24(21)18-23)25-17-19-8-4-2-5-9-19/h2-11,21-22H,12-18H2,1H3.
What are the key properties of 7-methyl-7-phenyl-2-phenylmethoxy-1,2,3,4,6,8,9,9a-octahydroquinolizine?
7-methyl-7-phenyl-2-phenylmethoxy-1,2,3,4,6,8,9,9a-octahydroquinolizine has a molecular weight of 335.49 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-7-phenyl-2-phenylmethoxy-1,2,3,4,6,8,9,9a-octahydroquinolizine is sourced from PubChem (CID 42641916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).