1-[5-[(2R)-2-fluoropropoxy]-2-pyridinyl]-N-[1-(6-phenoxy-3-pyridinyl)ethenyl]ethanamine

C23H24FN3O2 — CID 88998281

IUPAC1-[5-[(2R)-2-fluoropropoxy]-2-pyridinyl]-N-[1-(6-phenoxy-3-pyridinyl)ethenyl]ethanamine
SMILESC=C(NC(C)c1ccc(OC[C@@H](C)F)cn1)c1ccc(Oc2ccccc2)nc1
InChIInChI=1S/C23H24FN3O2/c1-16(24)15-28-21-10-11-22(25-14-21)18(3)27-17(2)19-9-12-23(26-13-19)29-20-7-5-4-6-8-20/h4-14,16,18,27H,2,15H2,1,3H3/t16-,18?/m1/s1
InChIKeyJASOHFHFPAWXEN-PYUWXLGESA-N
MW393.46 g/mol
LogP5.33
Rot. Bonds9

About 1-[5-[(2R)-2-fluoropropoxy]-2-pyridinyl]-N-[1-(6-phenoxy-3-pyridinyl)ethenyl]ethanamine

1-[5-[(2R)-2-fluoropropoxy]-2-pyridinyl]-N-[1-(6-phenoxy-3-pyridinyl)ethenyl]ethanamine (PubChem CID 88998281) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is 1-[5-[(2R)-2-fluoropropoxy]-2-pyridinyl]-N-[1-(6-phenoxy-3-pyridinyl)ethenyl]ethanamine.

Molecular Properties

Compound Name1-[5-[(2R)-2-fluoropropoxy]-2-pyridinyl]-N-[1-(6-phenoxy-3-pyridinyl)ethenyl]ethanamine
PubChem CID88998281
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC Name1-[5-[(2R)-2-fluoropropoxy]-2-pyridinyl]-N-[1-(6-phenoxy-3-pyridinyl)ethenyl]ethanamine
SMILESC=C(NC(C)c1ccc(OC[C@@H](C)F)cn1)c1ccc(Oc2ccccc2)nc1
InChIInChI=1S/C23H24FN3O2/c1-16(24)15-28-21-10-11-22(25-14-21)18(3)27-17(2)19-9-12-23(26-13-19)29-20-7-5-4-6-8-20/h4-14,16,18,27H,2,15H2,1,3H3/t16-,18?/m1/s1
InChIKeyJASOHFHFPAWXEN-PYUWXLGESA-N
XLogP5.33
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.46
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2R)-2-fluoropropoxy]-2-pyridinyl]-N-[1-(6-phenoxy-3-pyridinyl)ethenyl]ethanamine?
The IUPAC name of 1-[5-[(2R)-2-fluoropropoxy]-2-pyridinyl]-N-[1-(6-phenoxy-3-pyridinyl)ethenyl]ethanamine (CID 88998281) is 1-[5-[(2R)-2-fluoropropoxy]-2-pyridinyl]-N-[1-(6-phenoxy-3-pyridinyl)ethenyl]ethanamine.
What is the SMILES notation for 1-[5-[(2R)-2-fluoropropoxy]-2-pyridinyl]-N-[1-(6-phenoxy-3-pyridinyl)ethenyl]ethanamine?
The canonical SMILES for 1-[5-[(2R)-2-fluoropropoxy]-2-pyridinyl]-N-[1-(6-phenoxy-3-pyridinyl)ethenyl]ethanamine is C=C(NC(C)c1ccc(OC[C@@H](C)F)cn1)c1ccc(Oc2ccccc2)nc1.
What is the InChIKey of 1-[5-[(2R)-2-fluoropropoxy]-2-pyridinyl]-N-[1-(6-phenoxy-3-pyridinyl)ethenyl]ethanamine?
The InChIKey is JASOHFHFPAWXEN-PYUWXLGESA-N. The full InChI is InChI=1S/C23H24FN3O2/c1-16(24)15-28-21-10-11-22(25-14-21)18(3)27-17(2)19-9-12-23(26-13-19)29-20-7-5-4-6-8-20/h4-14,16,18,27H,2,15H2,1,3H3/t16-,18?/m1/s1.
What are the key properties of 1-[5-[(2R)-2-fluoropropoxy]-2-pyridinyl]-N-[1-(6-phenoxy-3-pyridinyl)ethenyl]ethanamine?
1-[5-[(2R)-2-fluoropropoxy]-2-pyridinyl]-N-[1-(6-phenoxy-3-pyridinyl)ethenyl]ethanamine has a molecular weight of 393.46 g/mol, XLogP of 5.33, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2R)-2-fluoropropoxy]-2-pyridinyl]-N-[1-(6-phenoxy-3-pyridinyl)ethenyl]ethanamine is sourced from PubChem (CID 88998281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).