2-(4-fluorophenyl)-1-[(1S,12R)-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-9-yl]propan-2-ol

C23H25FN2O — CID 70897571

IUPAC2-(4-fluorophenyl)-1-[(1S,12R)-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-9-yl]propan-2-ol
SMILESCN1[C@@H]2CC[C@H]1c1c(n(CC(C)(O)c3ccc(F)cc3)c3ccccc13)C2
InChIInChI=1S/C23H25FN2O/c1-23(27,15-7-9-16(24)10-8-15)14-26-19-6-4-3-5-18(19)22-20-12-11-17(25(20)2)13-21(22)26/h3-10,17,20,27H,11-14H2,1-2H3/t17-,20+,23?/m1/s1
InChIKeyURXGWYMNJYYLJQ-LRNSAUPQSA-N
MW364.46 g/mol
LogP4.38
Rot. Bonds3

About 2-(4-fluorophenyl)-1-[(1S,12R)-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-9-yl]propan-2-ol

2-(4-fluorophenyl)-1-[(1S,12R)-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-9-yl]propan-2-ol (PubChem CID 70897571) has the molecular formula C23H25FN2O and a molecular weight of 364.46 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[(1S,12R)-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-9-yl]propan-2-ol.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[(1S,12R)-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-9-yl]propan-2-ol
PubChem CID70897571
Molecular FormulaC23H25FN2O
Molecular Weight364.46 g/mol
Exact Mass364.20
IUPAC Name2-(4-fluorophenyl)-1-[(1S,12R)-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-9-yl]propan-2-ol
SMILESCN1[C@@H]2CC[C@H]1c1c(n(CC(C)(O)c3ccc(F)cc3)c3ccccc13)C2
InChIInChI=1S/C23H25FN2O/c1-23(27,15-7-9-16(24)10-8-15)14-26-19-6-4-3-5-18(19)22-20-12-11-17(25(20)2)13-21(22)26/h3-10,17,20,27H,11-14H2,1-2H3/t17-,20+,23?/m1/s1
InChIKeyURXGWYMNJYYLJQ-LRNSAUPQSA-N
XLogP4.38
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.46
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 2-(4-fluorophenyl)-1-[(1S,12R)-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-9-yl]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[(1S,12R)-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-9-yl]propan-2-ol?
The IUPAC name of 2-(4-fluorophenyl)-1-[(1S,12R)-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-9-yl]propan-2-ol (CID 70897571) is 2-(4-fluorophenyl)-1-[(1S,12R)-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-9-yl]propan-2-ol.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[(1S,12R)-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-9-yl]propan-2-ol?
The canonical SMILES for 2-(4-fluorophenyl)-1-[(1S,12R)-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-9-yl]propan-2-ol is CN1[C@@H]2CC[C@H]1c1c(n(CC(C)(O)c3ccc(F)cc3)c3ccccc13)C2.
What is the InChIKey of 2-(4-fluorophenyl)-1-[(1S,12R)-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-9-yl]propan-2-ol?
The InChIKey is URXGWYMNJYYLJQ-LRNSAUPQSA-N. The full InChI is InChI=1S/C23H25FN2O/c1-23(27,15-7-9-16(24)10-8-15)14-26-19-6-4-3-5-18(19)22-20-12-11-17(25(20)2)13-21(22)26/h3-10,17,20,27H,11-14H2,1-2H3/t17-,20+,23?/m1/s1.
What are the key properties of 2-(4-fluorophenyl)-1-[(1S,12R)-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-9-yl]propan-2-ol?
2-(4-fluorophenyl)-1-[(1S,12R)-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-9-yl]propan-2-ol has a molecular weight of 364.46 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[(1S,12R)-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-9-yl]propan-2-ol is sourced from PubChem (CID 70897571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).