(E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-imine

C22H18F3N — CID 58250195

IUPAC(E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-imine
SMILESC[C@@H](/N=C/C=C/c1cccc(C(F)(F)F)c1)c1cccc2ccccc12
InChIInChI=1S/C22H18F3N/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25/h2-16H,1H3/b8-6+,26-14+/t16-/m1/s1
InChIKeyYINPIUNVBZSITP-YUFKZMOESA-N
MW353.39 g/mol
LogP6.70
Rot. Bonds4

About (E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-imine

(E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-imine (PubChem CID 58250195) has the molecular formula C22H18F3N and a molecular weight of 353.39 g/mol. Its IUPAC name is (E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-imine
PubChem CID58250195
Molecular FormulaC22H18F3N
Molecular Weight353.39 g/mol
Exact Mass353.14
IUPAC Name(E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-imine
SMILESC[C@@H](/N=C/C=C/c1cccc(C(F)(F)F)c1)c1cccc2ccccc12
InChIInChI=1S/C22H18F3N/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25/h2-16H,1H3/b8-6+,26-14+/t16-/m1/s1
InChIKeyYINPIUNVBZSITP-YUFKZMOESA-N
XLogP6.70
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.39
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-(naphthalen-1-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine
CID 13671206
(E)-N-(naphthalen-1-ylmethyl)-3-phenylprop-2-en-1-imine
CID 44457596
(1R)-N-[(4-fluorophenyl)methyl]-N-methyl-1-(1-naphthyl)ethanamine
CID 72708647
(1R)-N-methyl-1-(1-naphthyl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 72708652
(1R)-N-[(2-fluorophenyl)methyl]-N-methyl-1-(1-naphthyl)ethanamine
CID 72708686
(1R)-N-methyl-1-(1-naphthyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 72708688
(1R)-N-methyl-1-(1-naphthyl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 72708722
(1R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-1-(1-naphthyl)ethanamine
CID 72708723
N-methyl-N-(naphthalen-1-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine
CID 134792604
(1S)-1-anthracen-9-yl-2,2,2-trifluoroethanamine
CID 66512030
4-[3,5-bis(trifluoromethyl)phenyl]-7-phenyl-5H-benzo[d][2]benzazepine
CID 85614095
1H-benzo[de]isoquinoline
CID 9548677

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-imine?
The IUPAC name of (E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-imine (CID 58250195) is (E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-imine.
What is the SMILES notation for (E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-imine?
The canonical SMILES for (E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-imine is C[C@@H](/N=C/C=C/c1cccc(C(F)(F)F)c1)c1cccc2ccccc12.
What is the InChIKey of (E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-imine?
The InChIKey is YINPIUNVBZSITP-YUFKZMOESA-N. The full InChI is InChI=1S/C22H18F3N/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25/h2-16H,1H3/b8-6+,26-14+/t16-/m1/s1.
What are the key properties of (E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-imine?
(E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-imine has a molecular weight of 353.39 g/mol, XLogP of 6.70, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-imine is sourced from PubChem (CID 58250195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).