N-[(E)-3-(4-phenoxyphenyl)prop-2-enyl]-2-(trifluoromethyl)pyridin-4-amine

C21H17F3N2O — CID 166627780

IUPACN-[(E)-3-(4-phenoxyphenyl)prop-2-enyl]-2-(trifluoromethyl)pyridin-4-amine
SMILESFC(F)(F)c1cc(NC/C=C/c2ccc(Oc3ccccc3)cc2)ccn1
InChIInChI=1S/C21H17F3N2O/c22-21(23,24)20-15-17(12-14-26-20)25-13-4-5-16-8-10-19(11-9-16)27-18-6-2-1-3-7-18/h1-12,14-15H,13H2,(H,25,26)/b5-4+
InChIKeyOTIKVEOICQHVJD-SNAWJCMRSA-N
MW370.37 g/mol
LogP6.02
Rot. Bonds6

About N-[(E)-3-(4-phenoxyphenyl)prop-2-enyl]-2-(trifluoromethyl)pyridin-4-amine

N-[(E)-3-(4-phenoxyphenyl)prop-2-enyl]-2-(trifluoromethyl)pyridin-4-amine (PubChem CID 166627780) has the molecular formula C21H17F3N2O and a molecular weight of 370.37 g/mol. Its IUPAC name is N-[(E)-3-(4-phenoxyphenyl)prop-2-enyl]-2-(trifluoromethyl)pyridin-4-amine.

Molecular Properties

Compound NameN-[(E)-3-(4-phenoxyphenyl)prop-2-enyl]-2-(trifluoromethyl)pyridin-4-amine
PubChem CID166627780
Molecular FormulaC21H17F3N2O
Molecular Weight370.37 g/mol
Exact Mass370.13
IUPAC NameN-[(E)-3-(4-phenoxyphenyl)prop-2-enyl]-2-(trifluoromethyl)pyridin-4-amine
SMILESFC(F)(F)c1cc(NC/C=C/c2ccc(Oc3ccccc3)cc2)ccn1
InChIInChI=1S/C21H17F3N2O/c22-21(23,24)20-15-17(12-14-26-20)25-13-4-5-16-8-10-19(11-9-16)27-18-6-2-1-3-7-18/h1-12,14-15H,13H2,(H,25,26)/b5-4+
InChIKeyOTIKVEOICQHVJD-SNAWJCMRSA-N
XLogP6.02
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.37
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-(4-phenoxyphenyl)prop-2-enyl]-2-(trifluoromethyl)pyridin-4-amine?
The IUPAC name of N-[(E)-3-(4-phenoxyphenyl)prop-2-enyl]-2-(trifluoromethyl)pyridin-4-amine (CID 166627780) is N-[(E)-3-(4-phenoxyphenyl)prop-2-enyl]-2-(trifluoromethyl)pyridin-4-amine.
What is the SMILES notation for N-[(E)-3-(4-phenoxyphenyl)prop-2-enyl]-2-(trifluoromethyl)pyridin-4-amine?
The canonical SMILES for N-[(E)-3-(4-phenoxyphenyl)prop-2-enyl]-2-(trifluoromethyl)pyridin-4-amine is FC(F)(F)c1cc(NC/C=C/c2ccc(Oc3ccccc3)cc2)ccn1.
What is the InChIKey of N-[(E)-3-(4-phenoxyphenyl)prop-2-enyl]-2-(trifluoromethyl)pyridin-4-amine?
The InChIKey is OTIKVEOICQHVJD-SNAWJCMRSA-N. The full InChI is InChI=1S/C21H17F3N2O/c22-21(23,24)20-15-17(12-14-26-20)25-13-4-5-16-8-10-19(11-9-16)27-18-6-2-1-3-7-18/h1-12,14-15H,13H2,(H,25,26)/b5-4+.
What are the key properties of N-[(E)-3-(4-phenoxyphenyl)prop-2-enyl]-2-(trifluoromethyl)pyridin-4-amine?
N-[(E)-3-(4-phenoxyphenyl)prop-2-enyl]-2-(trifluoromethyl)pyridin-4-amine has a molecular weight of 370.37 g/mol, XLogP of 6.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-(4-phenoxyphenyl)prop-2-enyl]-2-(trifluoromethyl)pyridin-4-amine is sourced from PubChem (CID 166627780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).