N-(2-methylphenyl)-6-(trifluoromethyl)dibenzofuran-4-amine

C20H14F3NO — CID 163666091

IUPACN-(2-methylphenyl)-6-(trifluoromethyl)dibenzofuran-4-amine
SMILESCc1ccccc1Nc1cccc2c1oc1c(C(F)(F)F)cccc12
InChIInChI=1S/C20H14F3NO/c1-12-6-2-3-10-16(12)24-17-11-5-8-14-13-7-4-9-15(20(21,22)23)18(13)25-19(14)17/h2-11,24H,1H3
InChIKeyIYOXSUGWKKJPDW-UHFFFAOYSA-N
MW341.33 g/mol
LogP6.66
Rot. Bonds2

About N-(2-methylphenyl)-6-(trifluoromethyl)dibenzofuran-4-amine

N-(2-methylphenyl)-6-(trifluoromethyl)dibenzofuran-4-amine (PubChem CID 163666091) has the molecular formula C20H14F3NO and a molecular weight of 341.33 g/mol. Its IUPAC name is N-(2-methylphenyl)-6-(trifluoromethyl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-(2-methylphenyl)-6-(trifluoromethyl)dibenzofuran-4-amine
PubChem CID163666091
Molecular FormulaC20H14F3NO
Molecular Weight341.33 g/mol
Exact Mass341.10
IUPAC NameN-(2-methylphenyl)-6-(trifluoromethyl)dibenzofuran-4-amine
SMILESCc1ccccc1Nc1cccc2c1oc1c(C(F)(F)F)cccc12
InChIInChI=1S/C20H14F3NO/c1-12-6-2-3-10-16(12)24-17-11-5-8-14-13-7-4-9-15(20(21,22)23)18(13)25-19(14)17/h2-11,24H,1H3
InChIKeyIYOXSUGWKKJPDW-UHFFFAOYSA-N
XLogP6.66
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.33
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-6-(trifluoromethyl)dibenzofuran-4-amine?
The IUPAC name of N-(2-methylphenyl)-6-(trifluoromethyl)dibenzofuran-4-amine (CID 163666091) is N-(2-methylphenyl)-6-(trifluoromethyl)dibenzofuran-4-amine.
What is the SMILES notation for N-(2-methylphenyl)-6-(trifluoromethyl)dibenzofuran-4-amine?
The canonical SMILES for N-(2-methylphenyl)-6-(trifluoromethyl)dibenzofuran-4-amine is Cc1ccccc1Nc1cccc2c1oc1c(C(F)(F)F)cccc12.
What is the InChIKey of N-(2-methylphenyl)-6-(trifluoromethyl)dibenzofuran-4-amine?
The InChIKey is IYOXSUGWKKJPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3NO/c1-12-6-2-3-10-16(12)24-17-11-5-8-14-13-7-4-9-15(20(21,22)23)18(13)25-19(14)17/h2-11,24H,1H3.
What are the key properties of N-(2-methylphenyl)-6-(trifluoromethyl)dibenzofuran-4-amine?
N-(2-methylphenyl)-6-(trifluoromethyl)dibenzofuran-4-amine has a molecular weight of 341.33 g/mol, XLogP of 6.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-6-(trifluoromethyl)dibenzofuran-4-amine is sourced from PubChem (CID 163666091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).