N-[[4-(dimethylamino)phenyl]methyl]-8-fluorodibenzofuran-2-amine

C21H19FN2O — CID 22664173

IUPACN-[[4-(dimethylamino)phenyl]methyl]-8-fluorodibenzofuran-2-amine
SMILESCN(C)c1ccc(CNc2ccc3oc4ccc(F)cc4c3c2)cc1
InChIInChI=1S/C21H19FN2O/c1-24(2)17-7-3-14(4-8-17)13-23-16-6-10-21-19(12-16)18-11-15(22)5-9-20(18)25-21/h3-12,23H,13H2,1-2H3
InChIKeyOLGRPLOKFYYMGQ-UHFFFAOYSA-N
MW334.39 g/mol
LogP5.40
Rot. Bonds4

About N-[[4-(dimethylamino)phenyl]methyl]-8-fluorodibenzofuran-2-amine

N-[[4-(dimethylamino)phenyl]methyl]-8-fluorodibenzofuran-2-amine (PubChem CID 22664173) has the molecular formula C21H19FN2O and a molecular weight of 334.39 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-8-fluorodibenzofuran-2-amine.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-8-fluorodibenzofuran-2-amine
PubChem CID22664173
Molecular FormulaC21H19FN2O
Molecular Weight334.39 g/mol
Exact Mass334.15
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-8-fluorodibenzofuran-2-amine
SMILESCN(C)c1ccc(CNc2ccc3oc4ccc(F)cc4c3c2)cc1
InChIInChI=1S/C21H19FN2O/c1-24(2)17-7-3-14(4-8-17)13-23-16-6-10-21-19(12-16)18-11-15(22)5-9-20(18)25-21/h3-12,23H,13H2,1-2H3
InChIKeyOLGRPLOKFYYMGQ-UHFFFAOYSA-N
XLogP5.40
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.39
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-8-fluorodibenzofuran-2-amine?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-8-fluorodibenzofuran-2-amine (CID 22664173) is N-[[4-(dimethylamino)phenyl]methyl]-8-fluorodibenzofuran-2-amine.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-8-fluorodibenzofuran-2-amine?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-8-fluorodibenzofuran-2-amine is CN(C)c1ccc(CNc2ccc3oc4ccc(F)cc4c3c2)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-8-fluorodibenzofuran-2-amine?
The InChIKey is OLGRPLOKFYYMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O/c1-24(2)17-7-3-14(4-8-17)13-23-16-6-10-21-19(12-16)18-11-15(22)5-9-20(18)25-21/h3-12,23H,13H2,1-2H3.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-8-fluorodibenzofuran-2-amine?
N-[[4-(dimethylamino)phenyl]methyl]-8-fluorodibenzofuran-2-amine has a molecular weight of 334.39 g/mol, XLogP of 5.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-8-fluorodibenzofuran-2-amine is sourced from PubChem (CID 22664173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).