N,N-dimethyl-4-[1-(trifluoromethyl)benzo[e][1]benzofuran-2-yl]aniline

C21H16F3NO — CID 102306986

IUPACN,N-dimethyl-4-[1-(trifluoromethyl)benzo[e][1]benzofuran-2-yl]aniline
SMILESCN(C)c1ccc(-c2oc3ccc4ccccc4c3c2C(F)(F)F)cc1
InChIInChI=1S/C21H16F3NO/c1-25(2)15-10-7-14(8-11-15)20-19(21(22,23)24)18-16-6-4-3-5-13(16)9-12-17(18)26-20/h3-12H,1-2H3
InChIKeyVWZNPFPXLNSNJM-UHFFFAOYSA-N
MW355.36 g/mol
LogP6.34
Rot. Bonds2

About N,N-dimethyl-4-[1-(trifluoromethyl)benzo[e][1]benzofuran-2-yl]aniline

N,N-dimethyl-4-[1-(trifluoromethyl)benzo[e][1]benzofuran-2-yl]aniline (PubChem CID 102306986) has the molecular formula C21H16F3NO and a molecular weight of 355.36 g/mol. Its IUPAC name is N,N-dimethyl-4-[1-(trifluoromethyl)benzo[e][1]benzofuran-2-yl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[1-(trifluoromethyl)benzo[e][1]benzofuran-2-yl]aniline
PubChem CID102306986
Molecular FormulaC21H16F3NO
Molecular Weight355.36 g/mol
Exact Mass355.12
IUPAC NameN,N-dimethyl-4-[1-(trifluoromethyl)benzo[e][1]benzofuran-2-yl]aniline
SMILESCN(C)c1ccc(-c2oc3ccc4ccccc4c3c2C(F)(F)F)cc1
InChIInChI=1S/C21H16F3NO/c1-25(2)15-10-7-14(8-11-15)20-19(21(22,23)24)18-16-6-4-3-5-13(16)9-12-17(18)26-20/h3-12H,1-2H3
InChIKeyVWZNPFPXLNSNJM-UHFFFAOYSA-N
XLogP6.34
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 ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Methoxy-2-(4-dimethylaminophenyl)benzofuran
CID 11673398
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
2-(4-Pyrrolidin-1-ylphenyl)benzo[h]chromen-4-one
CID 56945190
2-[4-(Dimethylamino)phenyl]benzo[h]chromen-4-one
CID 56945194
(4-Dimethylamino-phenyl)-(4-methoxy-naphthalen-1-yl)-methanone
CID 815403
6,7-Dimethyl-2-(4-pyrrolidin-1-ylphenyl)chromen-4-one
CID 56945191
2-[4-(Dimethylamino)phenyl]-6,7-dimethylchromen-4-one
CID 56945193
4-(2-(5-fluorobenzofuran-2-yl)vinyl)-N,N-dimethylbenzenamine
CID 44548163
N,N-dimethyl-4-(2-(6-methylbenzofuran-2-yl)vinyl)benzenamine
CID 44548166

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[1-(trifluoromethyl)benzo[e][1]benzofuran-2-yl]aniline?
The IUPAC name of N,N-dimethyl-4-[1-(trifluoromethyl)benzo[e][1]benzofuran-2-yl]aniline (CID 102306986) is N,N-dimethyl-4-[1-(trifluoromethyl)benzo[e][1]benzofuran-2-yl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[1-(trifluoromethyl)benzo[e][1]benzofuran-2-yl]aniline?
The canonical SMILES for N,N-dimethyl-4-[1-(trifluoromethyl)benzo[e][1]benzofuran-2-yl]aniline is CN(C)c1ccc(-c2oc3ccc4ccccc4c3c2C(F)(F)F)cc1.
What is the InChIKey of N,N-dimethyl-4-[1-(trifluoromethyl)benzo[e][1]benzofuran-2-yl]aniline?
The InChIKey is VWZNPFPXLNSNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3NO/c1-25(2)15-10-7-14(8-11-15)20-19(21(22,23)24)18-16-6-4-3-5-13(16)9-12-17(18)26-20/h3-12H,1-2H3.
What are the key properties of N,N-dimethyl-4-[1-(trifluoromethyl)benzo[e][1]benzofuran-2-yl]aniline?
N,N-dimethyl-4-[1-(trifluoromethyl)benzo[e][1]benzofuran-2-yl]aniline has a molecular weight of 355.36 g/mol, XLogP of 6.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[1-(trifluoromethyl)benzo[e][1]benzofuran-2-yl]aniline is sourced from PubChem (CID 102306986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).