N,7-dimethyl-N-[3-(trifluoromethyl)phenyl]dibenzofuran-3-amine

C21H16F3NO — CID 23593247

IUPACN,7-dimethyl-N-[3-(trifluoromethyl)phenyl]dibenzofuran-3-amine
SMILESCc1ccc2c(c1)oc1cc(N(C)c3cccc(C(F)(F)F)c3)ccc12
InChIInChI=1S/C21H16F3NO/c1-13-6-8-17-18-9-7-16(12-20(18)26-19(17)10-13)25(2)15-5-3-4-14(11-15)21(22,23)24/h3-12H,1-2H3
InChIKeyKLLJTNFVLGGYOG-UHFFFAOYSA-N
MW355.36 g/mol
LogP6.68
Rot. Bonds2

About N,7-dimethyl-N-[3-(trifluoromethyl)phenyl]dibenzofuran-3-amine

N,7-dimethyl-N-[3-(trifluoromethyl)phenyl]dibenzofuran-3-amine (PubChem CID 23593247) has the molecular formula C21H16F3NO and a molecular weight of 355.36 g/mol. Its IUPAC name is N,7-dimethyl-N-[3-(trifluoromethyl)phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN,7-dimethyl-N-[3-(trifluoromethyl)phenyl]dibenzofuran-3-amine
PubChem CID23593247
Molecular FormulaC21H16F3NO
Molecular Weight355.36 g/mol
Exact Mass355.12
IUPAC NameN,7-dimethyl-N-[3-(trifluoromethyl)phenyl]dibenzofuran-3-amine
SMILESCc1ccc2c(c1)oc1cc(N(C)c3cccc(C(F)(F)F)c3)ccc12
InChIInChI=1S/C21H16F3NO/c1-13-6-8-17-18-9-7-16(12-20(18)26-19(17)10-13)25(2)15-5-3-4-14(11-15)21(22,23)24/h3-12H,1-2H3
InChIKeyKLLJTNFVLGGYOG-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

Acetamide, N-3-dibenzofuranyl-
CID 22087
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-Dibenzofuran-3-yl-3-methyl-butyramide
CID 2913552
N-(3-dibenzofuranyl)-2-methylpropanamide
CID 3150699
2,2,4-Trimethyl-1,2-dihydrobenzofuro[3,2-g]quinoline
CID 15458735
1,3,3-Trimethyl-3,4-dihydrobenzofuro[2,3-f]quinoline
CID 15458736
N,N-dimethyl-4-(2-(6-methylbenzofuran-2-yl)vinyl)benzenamine
CID 44548166
N-dibenzofuran-3-ylpentanamide
CID 4055978
Ethanone, 1-(4-fluorophenyl)-2-(3-dibenzofuranylamino)-
CID 607375
N-phenyl-1-Dibenzofuranamine
CID 71079236
N-[4-(1-benzofuran-2-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 153523833

Frequently Asked Questions

What is the IUPAC name of N,7-dimethyl-N-[3-(trifluoromethyl)phenyl]dibenzofuran-3-amine?
The IUPAC name of N,7-dimethyl-N-[3-(trifluoromethyl)phenyl]dibenzofuran-3-amine (CID 23593247) is N,7-dimethyl-N-[3-(trifluoromethyl)phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N,7-dimethyl-N-[3-(trifluoromethyl)phenyl]dibenzofuran-3-amine?
The canonical SMILES for N,7-dimethyl-N-[3-(trifluoromethyl)phenyl]dibenzofuran-3-amine is Cc1ccc2c(c1)oc1cc(N(C)c3cccc(C(F)(F)F)c3)ccc12.
What is the InChIKey of N,7-dimethyl-N-[3-(trifluoromethyl)phenyl]dibenzofuran-3-amine?
The InChIKey is KLLJTNFVLGGYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3NO/c1-13-6-8-17-18-9-7-16(12-20(18)26-19(17)10-13)25(2)15-5-3-4-14(11-15)21(22,23)24/h3-12H,1-2H3.
What are the key properties of N,7-dimethyl-N-[3-(trifluoromethyl)phenyl]dibenzofuran-3-amine?
N,7-dimethyl-N-[3-(trifluoromethyl)phenyl]dibenzofuran-3-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,7-dimethyl-N-[3-(trifluoromethyl)phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 23593247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).