N-(2-ethylphenyl)-6-fluoro-N-methyl-8,9-dihydrodibenzofuran-4-amine

C21H20FNO — CID 145276740

IUPACN-(2-ethylphenyl)-6-fluoro-N-methyl-8,9-dihydrodibenzofuran-4-amine
SMILESCCc1ccccc1N(C)c1cccc2c3c(oc12)C(F)=CCC3
InChIInChI=1S/C21H20FNO/c1-3-14-8-4-5-12-18(14)23(2)19-13-7-10-16-15-9-6-11-17(22)20(15)24-21(16)19/h4-5,7-8,10-13H,3,6,9H2,1-2H3
InChIKeyGMASNYKLNFWOBO-UHFFFAOYSA-N
MW321.39 g/mol
LogP6.02
Rot. Bonds3

About N-(2-ethylphenyl)-6-fluoro-N-methyl-8,9-dihydrodibenzofuran-4-amine

N-(2-ethylphenyl)-6-fluoro-N-methyl-8,9-dihydrodibenzofuran-4-amine (PubChem CID 145276740) has the molecular formula C21H20FNO and a molecular weight of 321.39 g/mol. Its IUPAC name is N-(2-ethylphenyl)-6-fluoro-N-methyl-8,9-dihydrodibenzofuran-4-amine.

Molecular Properties

Compound NameN-(2-ethylphenyl)-6-fluoro-N-methyl-8,9-dihydrodibenzofuran-4-amine
PubChem CID145276740
Molecular FormulaC21H20FNO
Molecular Weight321.39 g/mol
Exact Mass321.15
IUPAC NameN-(2-ethylphenyl)-6-fluoro-N-methyl-8,9-dihydrodibenzofuran-4-amine
SMILESCCc1ccccc1N(C)c1cccc2c3c(oc12)C(F)=CCC3
InChIInChI=1S/C21H20FNO/c1-3-14-8-4-5-12-18(14)23(2)19-13-7-10-16-15-9-6-11-17(22)20(15)24-21(16)19/h4-5,7-8,10-13H,3,6,9H2,1-2H3
InChIKeyGMASNYKLNFWOBO-UHFFFAOYSA-N
XLogP6.02
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.39
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethylphenyl)-6-fluoro-N-methyldibenzofuran-4-amine
CID 134527957
6-ethyl-N-(2-fluorophenyl)-N-methyldibenzofuran-4-amine
CID 138652786
N-(2-ethylphenyl)-N-methyl-6-(trifluoromethyl)dibenzofuran-4-amine
CID 134527991
6-tert-butyl-N-(2-ethylphenyl)-N-methyldibenzofuran-4-amine
CID 134527976
N-(2-ethylphenyl)-N-methyl-6-propan-2-yldibenzofuran-4-amine
CID 138651496
N-(2-fluorophenyl)-N-methyldibenzofuran-4-amine
CID 134527943
6-fluoro-N-methyl-N-(2-methylphenyl)dibenzofuran-4-amine
CID 134527955
N-(2-ethylphenyl)-N-methyl-6-propan-2-yldibenzothiophen-4-amine
CID 138651513
N-(2-ethylphenyl)-4-fluoro-N-methylbenzenesulfonamide
CID 100502093
6-cyclohexyl-N-(2-ethylphenyl)-N-methyldibenzothiophen-4-amine
CID 134528063
N-(4-fluorophenyl)-N-methyldibenzofuran-4-amine
CID 138456773
6-cyclohexyl-N-(2-fluorophenyl)-N-methyldibenzofuran-4-amine
CID 134527994

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-6-fluoro-N-methyl-8,9-dihydrodibenzofuran-4-amine?
The IUPAC name of N-(2-ethylphenyl)-6-fluoro-N-methyl-8,9-dihydrodibenzofuran-4-amine (CID 145276740) is N-(2-ethylphenyl)-6-fluoro-N-methyl-8,9-dihydrodibenzofuran-4-amine.
What is the SMILES notation for N-(2-ethylphenyl)-6-fluoro-N-methyl-8,9-dihydrodibenzofuran-4-amine?
The canonical SMILES for N-(2-ethylphenyl)-6-fluoro-N-methyl-8,9-dihydrodibenzofuran-4-amine is CCc1ccccc1N(C)c1cccc2c3c(oc12)C(F)=CCC3.
What is the InChIKey of N-(2-ethylphenyl)-6-fluoro-N-methyl-8,9-dihydrodibenzofuran-4-amine?
The InChIKey is GMASNYKLNFWOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO/c1-3-14-8-4-5-12-18(14)23(2)19-13-7-10-16-15-9-6-11-17(22)20(15)24-21(16)19/h4-5,7-8,10-13H,3,6,9H2,1-2H3.
What are the key properties of N-(2-ethylphenyl)-6-fluoro-N-methyl-8,9-dihydrodibenzofuran-4-amine?
N-(2-ethylphenyl)-6-fluoro-N-methyl-8,9-dihydrodibenzofuran-4-amine has a molecular weight of 321.39 g/mol, XLogP of 6.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-6-fluoro-N-methyl-8,9-dihydrodibenzofuran-4-amine is sourced from PubChem (CID 145276740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).