N,8-dimethyl-N-[4-(trifluoromethyl)phenyl]dibenzofuran-2-amine

C21H16F3NO — CID 23593255

IUPACN,8-dimethyl-N-[4-(trifluoromethyl)phenyl]dibenzofuran-2-amine
SMILESCc1ccc2oc3ccc(N(C)c4ccc(C(F)(F)F)cc4)cc3c2c1
InChIInChI=1S/C21H16F3NO/c1-13-3-9-19-17(11-13)18-12-16(8-10-20(18)26-19)25(2)15-6-4-14(5-7-15)21(22,23)24/h3-12H,1-2H3
InChIKeyOSEPQFQIXFSIMR-UHFFFAOYSA-N
MW355.36 g/mol
LogP6.68
Rot. Bonds2

About N,8-dimethyl-N-[4-(trifluoromethyl)phenyl]dibenzofuran-2-amine

N,8-dimethyl-N-[4-(trifluoromethyl)phenyl]dibenzofuran-2-amine (PubChem CID 23593255) has the molecular formula C21H16F3NO and a molecular weight of 355.36 g/mol. Its IUPAC name is N,8-dimethyl-N-[4-(trifluoromethyl)phenyl]dibenzofuran-2-amine.

Molecular Properties

Compound NameN,8-dimethyl-N-[4-(trifluoromethyl)phenyl]dibenzofuran-2-amine
PubChem CID23593255
Molecular FormulaC21H16F3NO
Molecular Weight355.36 g/mol
Exact Mass355.12
IUPAC NameN,8-dimethyl-N-[4-(trifluoromethyl)phenyl]dibenzofuran-2-amine
SMILESCc1ccc2oc3ccc(N(C)c4ccc(C(F)(F)F)cc4)cc3c2c1
InChIInChI=1S/C21H16F3NO/c1-13-3-9-19-17(11-13)18-12-16(8-10-20(18)26-19)25(2)15-6-4-14(5-7-15)21(22,23)24/h3-12H,1-2H3
InChIKeyOSEPQFQIXFSIMR-UHFFFAOYSA-N
XLogP6.68
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.36
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-Trifluoro-1-[4-({2-[2-((R)-2-methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-ylmethyl}-amino)-phenyl]-ethanone
CID 11532060
4-(6-(125I)iodo-1-benzofuran-2-yl)-N,N-dimethyl(125I)aniline
CID 71457198
4-(5-(125I)iodo-1-benzofuran-2-yl)-N,N-dimethyl(125I)aniline
CID 71462568
N,N-dimethyl-4-(2-(5-methylbenzofuran-2-yl)vinyl)benzenamine
CID 44548007
3-(dibenzo[b,d]furan-2-ylamino)-2-(4-methoxyphenyl)-1H-inden-1-one
CID 2268521
3-[3-(dimethylamino)propyl]-4-methoxy-N-[2-[4-(trifluoromethyl)phenyl]-1-benzofuran-5-yl]benzamide
CID 44532772
4-(2-(5-fluorobenzofuran-2-yl)vinyl)-N,N-dimethylbenzenamine
CID 44548163
4-(2-(6-fluorobenzofuran-2-yl)vinyl)-N,N-dimethylbenzenamine
CID 44548168
Acetamide, N-2-dibenzofuranyl-
CID 603364
N-butyl-3-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)-1-benzofuran-5-amine
CID 44142382
4-[3-[(E)-2-(4-methoxyphenyl)ethenyl]-2-(3-methylphenyl)-1-benzofuran-5-yl]morpholine
CID 24747907
N-[4-(1-benzofuran-2-yl)phenyl]-2-(4-methoxyphenyl)acetamide
CID 153523823

Frequently Asked Questions

What is the IUPAC name of N,8-dimethyl-N-[4-(trifluoromethyl)phenyl]dibenzofuran-2-amine?
The IUPAC name of N,8-dimethyl-N-[4-(trifluoromethyl)phenyl]dibenzofuran-2-amine (CID 23593255) is N,8-dimethyl-N-[4-(trifluoromethyl)phenyl]dibenzofuran-2-amine.
What is the SMILES notation for N,8-dimethyl-N-[4-(trifluoromethyl)phenyl]dibenzofuran-2-amine?
The canonical SMILES for N,8-dimethyl-N-[4-(trifluoromethyl)phenyl]dibenzofuran-2-amine is Cc1ccc2oc3ccc(N(C)c4ccc(C(F)(F)F)cc4)cc3c2c1.
What is the InChIKey of N,8-dimethyl-N-[4-(trifluoromethyl)phenyl]dibenzofuran-2-amine?
The InChIKey is OSEPQFQIXFSIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3NO/c1-13-3-9-19-17(11-13)18-12-16(8-10-20(18)26-19)25(2)15-6-4-14(5-7-15)21(22,23)24/h3-12H,1-2H3.
What are the key properties of N,8-dimethyl-N-[4-(trifluoromethyl)phenyl]dibenzofuran-2-amine?
N,8-dimethyl-N-[4-(trifluoromethyl)phenyl]dibenzofuran-2-amine has a molecular weight of 355.36 g/mol, XLogP of 6.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,8-dimethyl-N-[4-(trifluoromethyl)phenyl]dibenzofuran-2-amine is sourced from PubChem (CID 23593255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).