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

C22H20F3N — CID 46194726

IUPAC(E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine
SMILESC[C@@H](NC/C=C/c1cccc(C(F)(F)F)c1)c1cccc2ccccc12
InChIInChI=1S/C22H20F3N/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/h2-13,15-16,26H,14H2,1H3/b8-6+/t16-/m1/s1
InChIKeyWFYGIZJPNJFYOP-IQIBNGDESA-N
MW355.40 g/mol
LogP6.22
Rot. Bonds5

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

(E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine (PubChem CID 46194726) has the molecular formula C22H20F3N and a molecular weight of 355.40 g/mol. Its IUPAC name is (E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine
PubChem CID46194726
Molecular FormulaC22H20F3N
Molecular Weight355.40 g/mol
Exact Mass355.15
IUPAC Name(E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine
SMILESC[C@@H](NC/C=C/c1cccc(C(F)(F)F)c1)c1cccc2ccccc12
InChIInChI=1S/C22H20F3N/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/h2-13,15-16,26H,14H2,1H3/b8-6+/t16-/m1/s1
InChIKeyWFYGIZJPNJFYOP-IQIBNGDESA-N
XLogP6.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.40
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine?
The IUPAC name of (E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine (CID 46194726) is (E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine.
What is the SMILES notation for (E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine?
The canonical SMILES for (E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine is C[C@@H](NC/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-amine?
The InChIKey is WFYGIZJPNJFYOP-IQIBNGDESA-N. The full InChI is InChI=1S/C22H20F3N/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/h2-13,15-16,26H,14H2,1H3/b8-6+/t16-/m1/s1.
What are the key properties of (E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine?
(E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine has a molecular weight of 355.40 g/mol, XLogP of 6.22, 5 rotatable bonds, 1 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-amine is sourced from PubChem (CID 46194726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).