N,N-dibenzyl-3-prop-1-en-2-yl-5-(trifluoromethyl)aniline

C24H22F3N — CID 155682167

IUPACN,N-dibenzyl-3-prop-1-en-2-yl-5-(trifluoromethyl)aniline
SMILESC=C(C)c1cc(N(Cc2ccccc2)Cc2ccccc2)cc(C(F)(F)F)c1
InChIInChI=1S/C24H22F3N/c1-18(2)21-13-22(24(25,26)27)15-23(14-21)28(16-19-9-5-3-6-10-19)17-20-11-7-4-8-12-20/h3-15H,1,16-17H2,2H3
InChIKeyYGJRUXUBOFYDTI-UHFFFAOYSA-N
MW381.44 g/mol
LogP6.95
Rot. Bonds6

About N,N-dibenzyl-3-prop-1-en-2-yl-5-(trifluoromethyl)aniline

N,N-dibenzyl-3-prop-1-en-2-yl-5-(trifluoromethyl)aniline (PubChem CID 155682167) has the molecular formula C24H22F3N and a molecular weight of 381.44 g/mol. Its IUPAC name is N,N-dibenzyl-3-prop-1-en-2-yl-5-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN,N-dibenzyl-3-prop-1-en-2-yl-5-(trifluoromethyl)aniline
PubChem CID155682167
Molecular FormulaC24H22F3N
Molecular Weight381.44 g/mol
Exact Mass381.17
IUPAC NameN,N-dibenzyl-3-prop-1-en-2-yl-5-(trifluoromethyl)aniline
SMILESC=C(C)c1cc(N(Cc2ccccc2)Cc2ccccc2)cc(C(F)(F)F)c1
InChIInChI=1S/C24H22F3N/c1-18(2)21-13-22(24(25,26)27)15-23(14-21)28(16-19-9-5-3-6-10-19)17-20-11-7-4-8-12-20/h3-15H,1,16-17H2,2H3
InChIKeyYGJRUXUBOFYDTI-UHFFFAOYSA-N
XLogP6.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.44
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-3-prop-1-en-2-yl-5-(trifluoromethyl)aniline?
The IUPAC name of N,N-dibenzyl-3-prop-1-en-2-yl-5-(trifluoromethyl)aniline (CID 155682167) is N,N-dibenzyl-3-prop-1-en-2-yl-5-(trifluoromethyl)aniline.
What is the SMILES notation for N,N-dibenzyl-3-prop-1-en-2-yl-5-(trifluoromethyl)aniline?
The canonical SMILES for N,N-dibenzyl-3-prop-1-en-2-yl-5-(trifluoromethyl)aniline is C=C(C)c1cc(N(Cc2ccccc2)Cc2ccccc2)cc(C(F)(F)F)c1.
What is the InChIKey of N,N-dibenzyl-3-prop-1-en-2-yl-5-(trifluoromethyl)aniline?
The InChIKey is YGJRUXUBOFYDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N/c1-18(2)21-13-22(24(25,26)27)15-23(14-21)28(16-19-9-5-3-6-10-19)17-20-11-7-4-8-12-20/h3-15H,1,16-17H2,2H3.
What are the key properties of N,N-dibenzyl-3-prop-1-en-2-yl-5-(trifluoromethyl)aniline?
N,N-dibenzyl-3-prop-1-en-2-yl-5-(trifluoromethyl)aniline has a molecular weight of 381.44 g/mol, XLogP of 6.95, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-3-prop-1-en-2-yl-5-(trifluoromethyl)aniline is sourced from PubChem (CID 155682167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).