N,N-dibenzyl-4-(2,2,2-trifluoroethyl)aniline

C22H20F3N — CID 142549273

IUPACN,N-dibenzyl-4-(2,2,2-trifluoroethyl)aniline
SMILESFC(F)(F)Cc1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C22H20F3N/c23-22(24,25)15-18-11-13-21(14-12-18)26(16-19-7-3-1-4-8-19)17-20-9-5-2-6-10-20/h1-14H,15-17H2
InChIKeyGFSIGOWQJDNBJG-UHFFFAOYSA-N
MW355.40 g/mol
LogP6.00
Rot. Bonds6

About N,N-dibenzyl-4-(2,2,2-trifluoroethyl)aniline

N,N-dibenzyl-4-(2,2,2-trifluoroethyl)aniline (PubChem CID 142549273) has the molecular formula C22H20F3N and a molecular weight of 355.40 g/mol. Its IUPAC name is N,N-dibenzyl-4-(2,2,2-trifluoroethyl)aniline.

Molecular Properties

Compound NameN,N-dibenzyl-4-(2,2,2-trifluoroethyl)aniline
PubChem CID142549273
Molecular FormulaC22H20F3N
Molecular Weight355.40 g/mol
Exact Mass355.15
IUPAC NameN,N-dibenzyl-4-(2,2,2-trifluoroethyl)aniline
SMILESFC(F)(F)Cc1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C22H20F3N/c23-22(24,25)15-18-11-13-21(14-12-18)26(16-19-7-3-1-4-8-19)17-20-9-5-2-6-10-20/h1-14H,15-17H2
InChIKeyGFSIGOWQJDNBJG-UHFFFAOYSA-N
XLogP6.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.40
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N,N-dibenzylaniline
CID 139071697
1-benzyl-4-(2,2,2-trifluoroethyl)benzene
CID 172715361
ethane;2,2,2-trifluoroethylbenzene
CID 142152613
azane;2,2,2-trifluoroethylbenzene;hydrochloride
CID 175467010
4-[[N-[(4-aminophenyl)methyl]anilino]methyl]aniline;ethane
CID 90899245
N,N-dibenzyl-4-(2-phenylethenyl)aniline
CID 54154139
N-benzyl-N-[(4-fluorophenyl)methyl]-4-methylsulfanylaniline
CID 22036185
4-(3-aminopropyl)-N,N-dibenzylaniline
CID 173288606
N,N-dibenzylpyridin-4-amine
CID 15006775
4-[[N-[(4-carboxyphenyl)methyl]anilino]methyl]benzoic acid
CID 101475742
1-[(E)-2-phenylethenyl]-4-(2,2,2-trifluoroethyl)benzene
CID 122231581
N,N-dibenzyl-3-chloro-4-[2-chloro-4-(dibenzylamino)phenyl]aniline
CID 71724240

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-4-(2,2,2-trifluoroethyl)aniline?
The IUPAC name of N,N-dibenzyl-4-(2,2,2-trifluoroethyl)aniline (CID 142549273) is N,N-dibenzyl-4-(2,2,2-trifluoroethyl)aniline.
What is the SMILES notation for N,N-dibenzyl-4-(2,2,2-trifluoroethyl)aniline?
The canonical SMILES for N,N-dibenzyl-4-(2,2,2-trifluoroethyl)aniline is FC(F)(F)Cc1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1.
What is the InChIKey of N,N-dibenzyl-4-(2,2,2-trifluoroethyl)aniline?
The InChIKey is GFSIGOWQJDNBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N/c23-22(24,25)15-18-11-13-21(14-12-18)26(16-19-7-3-1-4-8-19)17-20-9-5-2-6-10-20/h1-14H,15-17H2.
What are the key properties of N,N-dibenzyl-4-(2,2,2-trifluoroethyl)aniline?
N,N-dibenzyl-4-(2,2,2-trifluoroethyl)aniline has a molecular weight of 355.40 g/mol, XLogP of 6.00, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-4-(2,2,2-trifluoroethyl)aniline is sourced from PubChem (CID 142549273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).