3-(6-ethoxy-5-phenyl-2-pyridinyl)-N-[(3-fluorophenyl)methyl]prop-1-en-2-amine

C23H23FN2O — CID 143602160

IUPAC3-(6-ethoxy-5-phenyl-2-pyridinyl)-N-[(3-fluorophenyl)methyl]prop-1-en-2-amine
SMILESC=C(Cc1ccc(-c2ccccc2)c(OCC)n1)NCc1cccc(F)c1
InChIInChI=1S/C23H23FN2O/c1-3-27-23-22(19-9-5-4-6-10-19)13-12-21(26-23)14-17(2)25-16-18-8-7-11-20(24)15-18/h4-13,15,25H,2-3,14,16H2,1H3
InChIKeyZQKRQONZJMELGQ-UHFFFAOYSA-N
MW362.45 g/mol
LogP5.13
Rot. Bonds8

About 3-(6-ethoxy-5-phenyl-2-pyridinyl)-N-[(3-fluorophenyl)methyl]prop-1-en-2-amine

3-(6-ethoxy-5-phenyl-2-pyridinyl)-N-[(3-fluorophenyl)methyl]prop-1-en-2-amine (PubChem CID 143602160) has the molecular formula C23H23FN2O and a molecular weight of 362.45 g/mol. Its IUPAC name is 3-(6-ethoxy-5-phenyl-2-pyridinyl)-N-[(3-fluorophenyl)methyl]prop-1-en-2-amine.

Molecular Properties

Compound Name3-(6-ethoxy-5-phenyl-2-pyridinyl)-N-[(3-fluorophenyl)methyl]prop-1-en-2-amine
PubChem CID143602160
Molecular FormulaC23H23FN2O
Molecular Weight362.45 g/mol
Exact Mass362.18
IUPAC Name3-(6-ethoxy-5-phenyl-2-pyridinyl)-N-[(3-fluorophenyl)methyl]prop-1-en-2-amine
SMILESC=C(Cc1ccc(-c2ccccc2)c(OCC)n1)NCc1cccc(F)c1
InChIInChI=1S/C23H23FN2O/c1-3-27-23-22(19-9-5-4-6-10-19)13-12-21(26-23)14-17(2)25-16-18-8-7-11-20(24)15-18/h4-13,15,25H,2-3,14,16H2,1H3
InChIKeyZQKRQONZJMELGQ-UHFFFAOYSA-N
XLogP5.13
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.45
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(6-ethoxy-5-phenyl-2-pyridinyl)-N-[(3-fluorophenyl)methyl]prop-1-en-2-amine?
The IUPAC name of 3-(6-ethoxy-5-phenyl-2-pyridinyl)-N-[(3-fluorophenyl)methyl]prop-1-en-2-amine (CID 143602160) is 3-(6-ethoxy-5-phenyl-2-pyridinyl)-N-[(3-fluorophenyl)methyl]prop-1-en-2-amine.
What is the SMILES notation for 3-(6-ethoxy-5-phenyl-2-pyridinyl)-N-[(3-fluorophenyl)methyl]prop-1-en-2-amine?
The canonical SMILES for 3-(6-ethoxy-5-phenyl-2-pyridinyl)-N-[(3-fluorophenyl)methyl]prop-1-en-2-amine is C=C(Cc1ccc(-c2ccccc2)c(OCC)n1)NCc1cccc(F)c1.
What is the InChIKey of 3-(6-ethoxy-5-phenyl-2-pyridinyl)-N-[(3-fluorophenyl)methyl]prop-1-en-2-amine?
The InChIKey is ZQKRQONZJMELGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O/c1-3-27-23-22(19-9-5-4-6-10-19)13-12-21(26-23)14-17(2)25-16-18-8-7-11-20(24)15-18/h4-13,15,25H,2-3,14,16H2,1H3.
What are the key properties of 3-(6-ethoxy-5-phenyl-2-pyridinyl)-N-[(3-fluorophenyl)methyl]prop-1-en-2-amine?
3-(6-ethoxy-5-phenyl-2-pyridinyl)-N-[(3-fluorophenyl)methyl]prop-1-en-2-amine has a molecular weight of 362.45 g/mol, XLogP of 5.13, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-ethoxy-5-phenyl-2-pyridinyl)-N-[(3-fluorophenyl)methyl]prop-1-en-2-amine is sourced from PubChem (CID 143602160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).