(Z)-1-(4-phenylmethoxyphenyl)-2-pyridin-4-yl-3-(2,2,2-trifluoroethylimino)prop-1-en-1-amine

C23H20F3N3O — CID 167444569

IUPAC(Z)-1-(4-phenylmethoxyphenyl)-2-pyridin-4-yl-3-(2,2,2-trifluoroethylimino)prop-1-en-1-amine
SMILESN/C(=C(\C=N\CC(F)(F)F)c1ccncc1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H20F3N3O/c24-23(25,26)16-29-14-21(18-10-12-28-13-11-18)22(27)19-6-8-20(9-7-19)30-15-17-4-2-1-3-5-17/h1-14H,15-16,27H2/b22-21+,29-14+
InChIKeyQWQUDFDQLNOLBO-LLIHPHMNSA-N
MW411.43 g/mol
LogP5.12
Rot. Bonds7

About (Z)-1-(4-phenylmethoxyphenyl)-2-pyridin-4-yl-3-(2,2,2-trifluoroethylimino)prop-1-en-1-amine

(Z)-1-(4-phenylmethoxyphenyl)-2-pyridin-4-yl-3-(2,2,2-trifluoroethylimino)prop-1-en-1-amine (PubChem CID 167444569) has the molecular formula C23H20F3N3O and a molecular weight of 411.43 g/mol. Its IUPAC name is (Z)-1-(4-phenylmethoxyphenyl)-2-pyridin-4-yl-3-(2,2,2-trifluoroethylimino)prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-1-(4-phenylmethoxyphenyl)-2-pyridin-4-yl-3-(2,2,2-trifluoroethylimino)prop-1-en-1-amine
PubChem CID167444569
Molecular FormulaC23H20F3N3O
Molecular Weight411.43 g/mol
Exact Mass411.16
IUPAC Name(Z)-1-(4-phenylmethoxyphenyl)-2-pyridin-4-yl-3-(2,2,2-trifluoroethylimino)prop-1-en-1-amine
SMILESN/C(=C(\C=N\CC(F)(F)F)c1ccncc1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H20F3N3O/c24-23(25,26)16-29-14-21(18-10-12-28-13-11-18)22(27)19-6-8-20(9-7-19)30-15-17-4-2-1-3-5-17/h1-14H,15-16,27H2/b22-21+,29-14+
InChIKeyQWQUDFDQLNOLBO-LLIHPHMNSA-N
XLogP5.12
TPSA60.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.43
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-[(Z)-1-amino-3-methylimino-2-pyridin-4-ylprop-1-enyl]phenoxy]methyl]-3H-quinazolin-4-one
CID 167444503
3-methylimino-2-pyridin-4-yl-1-[4-[(4-thiomorpholin-4-ylquinazolin-2-yl)methoxy]phenyl]prop-1-en-1-amine
CID 174037357
2-[[4-[(Z)-1-amino-3-methylimino-2-pyridin-4-ylprop-1-enyl]phenoxy]methyl]quinoline-4-carboxylic acid
CID 167444508
tert-butyl 2-[[4-(1-amino-3-methylimino-2-pyridin-4-ylprop-1-enyl)phenoxy]methyl]quinoline-4-carboxylate
CID 174037470
4-phenylmethoxybenzoic acid
CID 68896574
N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 6868906
1-phenylmethoxy-4-(trifluoromethyl)benzene;4-(trifluoromethyl)phenol
CID 159669707
4-phenylmethoxybenzoyl fluoride
CID 154719359
3-[1-amino-2-pyridin-4-yl-3-(2,2,2-trifluoroethylimino)prop-1-enyl]-N-(2,5-difluorophenyl)sulfanyl-2-fluoro-N-(methoxymethyl)aniline
CID 163450119
4-(4-phenylmethoxybenzoyl)benzoic acid
CID 11616925
N-[2-hydroxy-3-(4-phenylmethoxyphenyl)propyl]-3-pyridin-4-yl-3-[1-(trifluoromethyl)cyclopropyl]prop-2-enamide
CID 175526134
1-[(Z)-1,4-dibromobut-2-en-2-yl]-4-phenylmethoxybenzene
CID 169094365

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-phenylmethoxyphenyl)-2-pyridin-4-yl-3-(2,2,2-trifluoroethylimino)prop-1-en-1-amine?
The IUPAC name of (Z)-1-(4-phenylmethoxyphenyl)-2-pyridin-4-yl-3-(2,2,2-trifluoroethylimino)prop-1-en-1-amine (CID 167444569) is (Z)-1-(4-phenylmethoxyphenyl)-2-pyridin-4-yl-3-(2,2,2-trifluoroethylimino)prop-1-en-1-amine.
What is the SMILES notation for (Z)-1-(4-phenylmethoxyphenyl)-2-pyridin-4-yl-3-(2,2,2-trifluoroethylimino)prop-1-en-1-amine?
The canonical SMILES for (Z)-1-(4-phenylmethoxyphenyl)-2-pyridin-4-yl-3-(2,2,2-trifluoroethylimino)prop-1-en-1-amine is N/C(=C(\C=N\CC(F)(F)F)c1ccncc1)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of (Z)-1-(4-phenylmethoxyphenyl)-2-pyridin-4-yl-3-(2,2,2-trifluoroethylimino)prop-1-en-1-amine?
The InChIKey is QWQUDFDQLNOLBO-LLIHPHMNSA-N. The full InChI is InChI=1S/C23H20F3N3O/c24-23(25,26)16-29-14-21(18-10-12-28-13-11-18)22(27)19-6-8-20(9-7-19)30-15-17-4-2-1-3-5-17/h1-14H,15-16,27H2/b22-21+,29-14+.
What are the key properties of (Z)-1-(4-phenylmethoxyphenyl)-2-pyridin-4-yl-3-(2,2,2-trifluoroethylimino)prop-1-en-1-amine?
(Z)-1-(4-phenylmethoxyphenyl)-2-pyridin-4-yl-3-(2,2,2-trifluoroethylimino)prop-1-en-1-amine has a molecular weight of 411.43 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-phenylmethoxyphenyl)-2-pyridin-4-yl-3-(2,2,2-trifluoroethylimino)prop-1-en-1-amine is sourced from PubChem (CID 167444569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).