8-fluoro-N-[(3-methylphenyl)methyl]dibenzofuran-2-amine

C20H16FNO — CID 22664236

IUPAC8-fluoro-N-[(3-methylphenyl)methyl]dibenzofuran-2-amine
SMILESCc1cccc(CNc2ccc3oc4ccc(F)cc4c3c2)c1
InChIInChI=1S/C20H16FNO/c1-13-3-2-4-14(9-13)12-22-16-6-8-20-18(11-16)17-10-15(21)5-7-19(17)23-20/h2-11,22H,12H2,1H3
InChIKeyOVRZXRBJNRILJC-UHFFFAOYSA-N
MW305.35 g/mol
LogP5.65
Rot. Bonds3

About 8-fluoro-N-[(3-methylphenyl)methyl]dibenzofuran-2-amine

8-fluoro-N-[(3-methylphenyl)methyl]dibenzofuran-2-amine (PubChem CID 22664236) has the molecular formula C20H16FNO and a molecular weight of 305.35 g/mol. Its IUPAC name is 8-fluoro-N-[(3-methylphenyl)methyl]dibenzofuran-2-amine.

Molecular Properties

Compound Name8-fluoro-N-[(3-methylphenyl)methyl]dibenzofuran-2-amine
PubChem CID22664236
Molecular FormulaC20H16FNO
Molecular Weight305.35 g/mol
Exact Mass305.12
IUPAC Name8-fluoro-N-[(3-methylphenyl)methyl]dibenzofuran-2-amine
SMILESCc1cccc(CNc2ccc3oc4ccc(F)cc4c3c2)c1
InChIInChI=1S/C20H16FNO/c1-13-3-2-4-14(9-13)12-22-16-6-8-20-18(11-16)17-10-15(21)5-7-19(17)23-20/h2-11,22H,12H2,1H3
InChIKeyOVRZXRBJNRILJC-UHFFFAOYSA-N
XLogP5.65
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.35
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-[(3-methylphenyl)methyl]dibenzofuran-2-amine?
The IUPAC name of 8-fluoro-N-[(3-methylphenyl)methyl]dibenzofuran-2-amine (CID 22664236) is 8-fluoro-N-[(3-methylphenyl)methyl]dibenzofuran-2-amine.
What is the SMILES notation for 8-fluoro-N-[(3-methylphenyl)methyl]dibenzofuran-2-amine?
The canonical SMILES for 8-fluoro-N-[(3-methylphenyl)methyl]dibenzofuran-2-amine is Cc1cccc(CNc2ccc3oc4ccc(F)cc4c3c2)c1.
What is the InChIKey of 8-fluoro-N-[(3-methylphenyl)methyl]dibenzofuran-2-amine?
The InChIKey is OVRZXRBJNRILJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO/c1-13-3-2-4-14(9-13)12-22-16-6-8-20-18(11-16)17-10-15(21)5-7-19(17)23-20/h2-11,22H,12H2,1H3.
What are the key properties of 8-fluoro-N-[(3-methylphenyl)methyl]dibenzofuran-2-amine?
8-fluoro-N-[(3-methylphenyl)methyl]dibenzofuran-2-amine has a molecular weight of 305.35 g/mol, XLogP of 5.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-[(3-methylphenyl)methyl]dibenzofuran-2-amine is sourced from PubChem (CID 22664236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).