(5S,8S)-6-[(2-methoxyphenyl)methyl]-8-phenyl-1,6-diazabicyclo[3.2.1]octane

C20H24N2O — CID 10357939

IUPAC(5S,8S)-6-[(2-methoxyphenyl)methyl]-8-phenyl-1,6-diazabicyclo[3.2.1]octane
SMILESCOc1ccccc1CN1CN2CCC[C@H]1[C@@H]2c1ccccc1
InChIInChI=1S/C20H24N2O/c1-23-19-12-6-5-10-17(19)14-22-15-21-13-7-11-18(22)20(21)16-8-3-2-4-9-16/h2-6,8-10,12,18,20H,7,11,13-15H2,1H3/t18-,20-/m0/s1
InChIKeyFIBILZWMDFTWPK-ICSRJNTNSA-N
MW308.43 g/mol
LogP3.67
Rot. Bonds4

About (5S,8S)-6-[(2-methoxyphenyl)methyl]-8-phenyl-1,6-diazabicyclo[3.2.1]octane

(5S,8S)-6-[(2-methoxyphenyl)methyl]-8-phenyl-1,6-diazabicyclo[3.2.1]octane (PubChem CID 10357939) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is (5S,8S)-6-[(2-methoxyphenyl)methyl]-8-phenyl-1,6-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(5S,8S)-6-[(2-methoxyphenyl)methyl]-8-phenyl-1,6-diazabicyclo[3.2.1]octane
PubChem CID10357939
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name(5S,8S)-6-[(2-methoxyphenyl)methyl]-8-phenyl-1,6-diazabicyclo[3.2.1]octane
SMILESCOc1ccccc1CN1CN2CCC[C@H]1[C@@H]2c1ccccc1
InChIInChI=1S/C20H24N2O/c1-23-19-12-6-5-10-17(19)14-22-15-21-13-7-11-18(22)20(21)16-8-3-2-4-9-16/h2-6,8-10,12,18,20H,7,11,13-15H2,1H3/t18-,20-/m0/s1
InChIKeyFIBILZWMDFTWPK-ICSRJNTNSA-N
XLogP3.67
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S,8S)-6-[(2-methoxyphenyl)methyl]-8-phenyl-1,6-diazabicyclo[3.2.1]octane?
The IUPAC name of (5S,8S)-6-[(2-methoxyphenyl)methyl]-8-phenyl-1,6-diazabicyclo[3.2.1]octane (CID 10357939) is (5S,8S)-6-[(2-methoxyphenyl)methyl]-8-phenyl-1,6-diazabicyclo[3.2.1]octane.
What is the SMILES notation for (5S,8S)-6-[(2-methoxyphenyl)methyl]-8-phenyl-1,6-diazabicyclo[3.2.1]octane?
The canonical SMILES for (5S,8S)-6-[(2-methoxyphenyl)methyl]-8-phenyl-1,6-diazabicyclo[3.2.1]octane is COc1ccccc1CN1CN2CCC[C@H]1[C@@H]2c1ccccc1.
What is the InChIKey of (5S,8S)-6-[(2-methoxyphenyl)methyl]-8-phenyl-1,6-diazabicyclo[3.2.1]octane?
The InChIKey is FIBILZWMDFTWPK-ICSRJNTNSA-N. The full InChI is InChI=1S/C20H24N2O/c1-23-19-12-6-5-10-17(19)14-22-15-21-13-7-11-18(22)20(21)16-8-3-2-4-9-16/h2-6,8-10,12,18,20H,7,11,13-15H2,1H3/t18-,20-/m0/s1.
What are the key properties of (5S,8S)-6-[(2-methoxyphenyl)methyl]-8-phenyl-1,6-diazabicyclo[3.2.1]octane?
(5S,8S)-6-[(2-methoxyphenyl)methyl]-8-phenyl-1,6-diazabicyclo[3.2.1]octane has a molecular weight of 308.43 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,8S)-6-[(2-methoxyphenyl)methyl]-8-phenyl-1,6-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 10357939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).