6-fluoro-N-phenyl-3-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-10-amine

C20H17FN2 — CID 19868663

IUPAC6-fluoro-N-phenyl-3-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-10-amine
SMILESFc1ccc2c(Nc3ccccc3)c3c(nc2c1)C1CCC3C1
InChIInChI=1S/C20H17FN2/c21-14-8-9-16-17(11-14)23-19-13-7-6-12(10-13)18(19)20(16)22-15-4-2-1-3-5-15/h1-5,8-9,11-13H,6-7,10H2,(H,22,23)
InChIKeyXKODREACOZATGO-UHFFFAOYSA-N
MW304.37 g/mol
LogP5.48
Rot. Bonds2

About 6-fluoro-N-phenyl-3-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-10-amine

6-fluoro-N-phenyl-3-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-10-amine (PubChem CID 19868663) has the molecular formula C20H17FN2 and a molecular weight of 304.37 g/mol. Its IUPAC name is 6-fluoro-N-phenyl-3-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-10-amine.

Molecular Properties

Compound Name6-fluoro-N-phenyl-3-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-10-amine
PubChem CID19868663
Molecular FormulaC20H17FN2
Molecular Weight304.37 g/mol
Exact Mass304.14
IUPAC Name6-fluoro-N-phenyl-3-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-10-amine
SMILESFc1ccc2c(Nc3ccccc3)c3c(nc2c1)C1CCC3C1
InChIInChI=1S/C20H17FN2/c21-14-8-9-16-17(11-14)23-19-13-7-6-12(10-13)18(19)20(16)22-15-4-2-1-3-5-15/h1-5,8-9,11-13H,6-7,10H2,(H,22,23)
InChIKeyXKODREACOZATGO-UHFFFAOYSA-N
XLogP5.48
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.37
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-phenyl-3-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-10-amine?
The IUPAC name of 6-fluoro-N-phenyl-3-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-10-amine (CID 19868663) is 6-fluoro-N-phenyl-3-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-10-amine.
What is the SMILES notation for 6-fluoro-N-phenyl-3-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-10-amine?
The canonical SMILES for 6-fluoro-N-phenyl-3-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-10-amine is Fc1ccc2c(Nc3ccccc3)c3c(nc2c1)C1CCC3C1.
What is the InChIKey of 6-fluoro-N-phenyl-3-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-10-amine?
The InChIKey is XKODREACOZATGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2/c21-14-8-9-16-17(11-14)23-19-13-7-6-12(10-13)18(19)20(16)22-15-4-2-1-3-5-15/h1-5,8-9,11-13H,6-7,10H2,(H,22,23).
What are the key properties of 6-fluoro-N-phenyl-3-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-10-amine?
6-fluoro-N-phenyl-3-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-10-amine has a molecular weight of 304.37 g/mol, XLogP of 5.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-phenyl-3-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-10-amine is sourced from PubChem (CID 19868663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).