N-(2-ethylphenyl)-6-fluoro-N-methyldibenzofuran-4-amine

C21H18FNO — CID 134527957

IUPACN-(2-ethylphenyl)-6-fluoro-N-methyldibenzofuran-4-amine
SMILESCCc1ccccc1N(C)c1cccc2c1oc1c(F)cccc12
InChIInChI=1S/C21H18FNO/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/h4-13H,3H2,1-2H3
InChIKeyDIQVETCMVYREDX-UHFFFAOYSA-N
MW319.38 g/mol
LogP6.06
Rot. Bonds3

About N-(2-ethylphenyl)-6-fluoro-N-methyldibenzofuran-4-amine

N-(2-ethylphenyl)-6-fluoro-N-methyldibenzofuran-4-amine (PubChem CID 134527957) has the molecular formula C21H18FNO and a molecular weight of 319.38 g/mol. Its IUPAC name is N-(2-ethylphenyl)-6-fluoro-N-methyldibenzofuran-4-amine.

Molecular Properties

Compound NameN-(2-ethylphenyl)-6-fluoro-N-methyldibenzofuran-4-amine
PubChem CID134527957
Molecular FormulaC21H18FNO
Molecular Weight319.38 g/mol
Exact Mass319.14
IUPAC NameN-(2-ethylphenyl)-6-fluoro-N-methyldibenzofuran-4-amine
SMILESCCc1ccccc1N(C)c1cccc2c1oc1c(F)cccc12
InChIInChI=1S/C21H18FNO/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/h4-13H,3H2,1-2H3
InChIKeyDIQVETCMVYREDX-UHFFFAOYSA-N
XLogP6.06
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.38
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-ethyl-N-(2-fluorophenyl)-N-methyldibenzofuran-4-amine
CID 138652786
N-(2-ethylphenyl)-N-methyl-6-(trifluoromethyl)dibenzofuran-4-amine
CID 134527991
6-fluoro-N-methyl-N-(2-methylphenyl)dibenzofuran-4-amine
CID 134527955
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
6-fluoro-N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzofuran-4-amine
CID 134527961
N-(2-ethylphenyl)-6-fluoro-N-methyl-8,9-dihydrodibenzofuran-4-amine
CID 145276740
N-(2-fluorophenyl)-N-methyldibenzofuran-4-amine
CID 134527943
6-cyclohexyl-N-(2-fluorophenyl)-N-methyldibenzofuran-4-amine
CID 134527994
N-(2-tert-butylphenyl)-6-ethyl-N-iododibenzofuran-4-amine
CID 137416089
N-(4-fluorophenyl)-N-methyldibenzofuran-4-amine
CID 138456773
N-(2-ethylphenyl)-N-methyl-6-propan-2-yldibenzothiophen-4-amine
CID 138651513

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-6-fluoro-N-methyldibenzofuran-4-amine?
The IUPAC name of N-(2-ethylphenyl)-6-fluoro-N-methyldibenzofuran-4-amine (CID 134527957) is N-(2-ethylphenyl)-6-fluoro-N-methyldibenzofuran-4-amine.
What is the SMILES notation for N-(2-ethylphenyl)-6-fluoro-N-methyldibenzofuran-4-amine?
The canonical SMILES for N-(2-ethylphenyl)-6-fluoro-N-methyldibenzofuran-4-amine is CCc1ccccc1N(C)c1cccc2c1oc1c(F)cccc12.
What is the InChIKey of N-(2-ethylphenyl)-6-fluoro-N-methyldibenzofuran-4-amine?
The InChIKey is DIQVETCMVYREDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO/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/h4-13H,3H2,1-2H3.
What are the key properties of N-(2-ethylphenyl)-6-fluoro-N-methyldibenzofuran-4-amine?
N-(2-ethylphenyl)-6-fluoro-N-methyldibenzofuran-4-amine has a molecular weight of 319.38 g/mol, XLogP of 6.06, 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-methyldibenzofuran-4-amine is sourced from PubChem (CID 134527957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).