N-[(2,5-dimethylphenyl)methyl]-8-fluorodibenzofuran-2-amine

C21H18FNO — CID 22663955

IUPACN-[(2,5-dimethylphenyl)methyl]-8-fluorodibenzofuran-2-amine
SMILESCc1ccc(C)c(CNc2ccc3oc4ccc(F)cc4c3c2)c1
InChIInChI=1S/C21H18FNO/c1-13-3-4-14(2)15(9-13)12-23-17-6-8-21-19(11-17)18-10-16(22)5-7-20(18)24-21/h3-11,23H,12H2,1-2H3
InChIKeyLDHYGAQBMPWECF-UHFFFAOYSA-N
MW319.38 g/mol
LogP5.95
Rot. Bonds3

About N-[(2,5-dimethylphenyl)methyl]-8-fluorodibenzofuran-2-amine

N-[(2,5-dimethylphenyl)methyl]-8-fluorodibenzofuran-2-amine (PubChem CID 22663955) has the molecular formula C21H18FNO and a molecular weight of 319.38 g/mol. Its IUPAC name is N-[(2,5-dimethylphenyl)methyl]-8-fluorodibenzofuran-2-amine.

Molecular Properties

Compound NameN-[(2,5-dimethylphenyl)methyl]-8-fluorodibenzofuran-2-amine
PubChem CID22663955
Molecular FormulaC21H18FNO
Molecular Weight319.38 g/mol
Exact Mass319.14
IUPAC NameN-[(2,5-dimethylphenyl)methyl]-8-fluorodibenzofuran-2-amine
SMILESCc1ccc(C)c(CNc2ccc3oc4ccc(F)cc4c3c2)c1
InChIInChI=1S/C21H18FNO/c1-13-3-4-14(2)15(9-13)12-23-17-6-8-21-19(11-17)18-10-16(22)5-7-20(18)24-21/h3-11,23H,12H2,1-2H3
InChIKeyLDHYGAQBMPWECF-UHFFFAOYSA-N
XLogP5.95
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.38
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylphenyl)methyl]-8-fluorodibenzofuran-2-amine?
The IUPAC name of N-[(2,5-dimethylphenyl)methyl]-8-fluorodibenzofuran-2-amine (CID 22663955) is N-[(2,5-dimethylphenyl)methyl]-8-fluorodibenzofuran-2-amine.
What is the SMILES notation for N-[(2,5-dimethylphenyl)methyl]-8-fluorodibenzofuran-2-amine?
The canonical SMILES for N-[(2,5-dimethylphenyl)methyl]-8-fluorodibenzofuran-2-amine is Cc1ccc(C)c(CNc2ccc3oc4ccc(F)cc4c3c2)c1.
What is the InChIKey of N-[(2,5-dimethylphenyl)methyl]-8-fluorodibenzofuran-2-amine?
The InChIKey is LDHYGAQBMPWECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO/c1-13-3-4-14(2)15(9-13)12-23-17-6-8-21-19(11-17)18-10-16(22)5-7-20(18)24-21/h3-11,23H,12H2,1-2H3.
What are the key properties of N-[(2,5-dimethylphenyl)methyl]-8-fluorodibenzofuran-2-amine?
N-[(2,5-dimethylphenyl)methyl]-8-fluorodibenzofuran-2-amine has a molecular weight of 319.38 g/mol, XLogP of 5.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylphenyl)methyl]-8-fluorodibenzofuran-2-amine is sourced from PubChem (CID 22663955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).