1-(4-fluorophenyl)-N-methyl-2-(1-methyl-2H-pyridin-4-yl)prop-2-en-1-imine

C16H17FN2 — CID 123769990

IUPAC1-(4-fluorophenyl)-N-methyl-2-(1-methyl-2H-pyridin-4-yl)prop-2-en-1-imine
SMILESC=C(C1=CCN(C)C=C1)/C(=N/C)c1ccc(F)cc1
InChIInChI=1S/C16H17FN2/c1-12(13-8-10-19(3)11-9-13)16(18-2)14-4-6-15(17)7-5-14/h4-10H,1,11H2,2-3H3/b18-16-
InChIKeyBOLKATFWPXTTDI-VLGSPTGOSA-N
MW256.32 g/mol
LogP3.19
Rot. Bonds3

About 1-(4-fluorophenyl)-N-methyl-2-(1-methyl-2H-pyridin-4-yl)prop-2-en-1-imine

1-(4-fluorophenyl)-N-methyl-2-(1-methyl-2H-pyridin-4-yl)prop-2-en-1-imine (PubChem CID 123769990) has the molecular formula C16H17FN2 and a molecular weight of 256.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-methyl-2-(1-methyl-2H-pyridin-4-yl)prop-2-en-1-imine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-methyl-2-(1-methyl-2H-pyridin-4-yl)prop-2-en-1-imine
PubChem CID123769990
Molecular FormulaC16H17FN2
Molecular Weight256.32 g/mol
Exact Mass256.14
IUPAC Name1-(4-fluorophenyl)-N-methyl-2-(1-methyl-2H-pyridin-4-yl)prop-2-en-1-imine
SMILESC=C(C1=CCN(C)C=C1)/C(=N/C)c1ccc(F)cc1
InChIInChI=1S/C16H17FN2/c1-12(13-8-10-19(3)11-9-13)16(18-2)14-4-6-15(17)7-5-14/h4-10H,1,11H2,2-3H3/b18-16-
InChIKeyBOLKATFWPXTTDI-VLGSPTGOSA-N
XLogP3.19
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1-(4-fluorophenyl)-N-propylethanimine
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CID 13128427

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-methyl-2-(1-methyl-2H-pyridin-4-yl)prop-2-en-1-imine?
The IUPAC name of 1-(4-fluorophenyl)-N-methyl-2-(1-methyl-2H-pyridin-4-yl)prop-2-en-1-imine (CID 123769990) is 1-(4-fluorophenyl)-N-methyl-2-(1-methyl-2H-pyridin-4-yl)prop-2-en-1-imine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-methyl-2-(1-methyl-2H-pyridin-4-yl)prop-2-en-1-imine?
The canonical SMILES for 1-(4-fluorophenyl)-N-methyl-2-(1-methyl-2H-pyridin-4-yl)prop-2-en-1-imine is C=C(C1=CCN(C)C=C1)/C(=N/C)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-methyl-2-(1-methyl-2H-pyridin-4-yl)prop-2-en-1-imine?
The InChIKey is BOLKATFWPXTTDI-VLGSPTGOSA-N. The full InChI is InChI=1S/C16H17FN2/c1-12(13-8-10-19(3)11-9-13)16(18-2)14-4-6-15(17)7-5-14/h4-10H,1,11H2,2-3H3/b18-16-.
What are the key properties of 1-(4-fluorophenyl)-N-methyl-2-(1-methyl-2H-pyridin-4-yl)prop-2-en-1-imine?
1-(4-fluorophenyl)-N-methyl-2-(1-methyl-2H-pyridin-4-yl)prop-2-en-1-imine has a molecular weight of 256.32 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-methyl-2-(1-methyl-2H-pyridin-4-yl)prop-2-en-1-imine is sourced from PubChem (CID 123769990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).