4-[9-[(2-fluorophenyl)methyl]-12-methyl-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-5-yl]morpholine

C23H27FN2O — CID 123448538

IUPAC4-[9-[(2-fluorophenyl)methyl]-12-methyl-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-5-yl]morpholine
SMILESCC1C2CCN(Cc3ccccc3F)C1c1cc(N3CCOCC3)ccc12
InChIInChI=1S/C23H27FN2O/c1-16-19-8-9-26(15-17-4-2-3-5-22(17)24)23(16)21-14-18(6-7-20(19)21)25-10-12-27-13-11-25/h2-7,14,16,19,23H,8-13,15H2,1H3
InChIKeyNFCDRJRYFCODSC-UHFFFAOYSA-N
MW366.48 g/mol
LogP4.34
Rot. Bonds3

About 4-[9-[(2-fluorophenyl)methyl]-12-methyl-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-5-yl]morpholine

4-[9-[(2-fluorophenyl)methyl]-12-methyl-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-5-yl]morpholine (PubChem CID 123448538) has the molecular formula C23H27FN2O and a molecular weight of 366.48 g/mol. Its IUPAC name is 4-[9-[(2-fluorophenyl)methyl]-12-methyl-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-5-yl]morpholine.

Molecular Properties

Compound Name4-[9-[(2-fluorophenyl)methyl]-12-methyl-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-5-yl]morpholine
PubChem CID123448538
Molecular FormulaC23H27FN2O
Molecular Weight366.48 g/mol
Exact Mass366.21
IUPAC Name4-[9-[(2-fluorophenyl)methyl]-12-methyl-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-5-yl]morpholine
SMILESCC1C2CCN(Cc3ccccc3F)C1c1cc(N3CCOCC3)ccc12
InChIInChI=1S/C23H27FN2O/c1-16-19-8-9-26(15-17-4-2-3-5-22(17)24)23(16)21-14-18(6-7-20(19)21)25-10-12-27-13-11-25/h2-7,14,16,19,23H,8-13,15H2,1H3
InChIKeyNFCDRJRYFCODSC-UHFFFAOYSA-N
XLogP4.34
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[9-[(2-fluorophenyl)methyl]-12-methyl-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-5-yl]morpholine?
The IUPAC name of 4-[9-[(2-fluorophenyl)methyl]-12-methyl-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-5-yl]morpholine (CID 123448538) is 4-[9-[(2-fluorophenyl)methyl]-12-methyl-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-5-yl]morpholine.
What is the SMILES notation for 4-[9-[(2-fluorophenyl)methyl]-12-methyl-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-5-yl]morpholine?
The canonical SMILES for 4-[9-[(2-fluorophenyl)methyl]-12-methyl-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-5-yl]morpholine is CC1C2CCN(Cc3ccccc3F)C1c1cc(N3CCOCC3)ccc12.
What is the InChIKey of 4-[9-[(2-fluorophenyl)methyl]-12-methyl-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-5-yl]morpholine?
The InChIKey is NFCDRJRYFCODSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O/c1-16-19-8-9-26(15-17-4-2-3-5-22(17)24)23(16)21-14-18(6-7-20(19)21)25-10-12-27-13-11-25/h2-7,14,16,19,23H,8-13,15H2,1H3.
What are the key properties of 4-[9-[(2-fluorophenyl)methyl]-12-methyl-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-5-yl]morpholine?
4-[9-[(2-fluorophenyl)methyl]-12-methyl-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-5-yl]morpholine has a molecular weight of 366.48 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-[(2-fluorophenyl)methyl]-12-methyl-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-5-yl]morpholine is sourced from PubChem (CID 123448538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).