N'-(6-ethoxy-2-pyridinyl)-N'-(3-fluorophenyl)propane-1,3-diamine

C16H20FN3O — CID 63590009

IUPACN'-(6-ethoxy-2-pyridinyl)-N'-(3-fluorophenyl)propane-1,3-diamine
SMILESCCOc1cccc(N(CCCN)c2cccc(F)c2)n1
InChIInChI=1S/C16H20FN3O/c1-2-21-16-9-4-8-15(19-16)20(11-5-10-18)14-7-3-6-13(17)12-14/h3-4,6-9,12H,2,5,10-11,18H2,1H3
InChIKeyDMTGIKKPZWEPFR-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.11
Rot. Bonds7

About N'-(6-ethoxy-2-pyridinyl)-N'-(3-fluorophenyl)propane-1,3-diamine

N'-(6-ethoxy-2-pyridinyl)-N'-(3-fluorophenyl)propane-1,3-diamine (PubChem CID 63590009) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is N'-(6-ethoxy-2-pyridinyl)-N'-(3-fluorophenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(6-ethoxy-2-pyridinyl)-N'-(3-fluorophenyl)propane-1,3-diamine
PubChem CID63590009
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC NameN'-(6-ethoxy-2-pyridinyl)-N'-(3-fluorophenyl)propane-1,3-diamine
SMILESCCOc1cccc(N(CCCN)c2cccc(F)c2)n1
InChIInChI=1S/C16H20FN3O/c1-2-21-16-9-4-8-15(19-16)20(11-5-10-18)14-7-3-6-13(17)12-14/h3-4,6-9,12H,2,5,10-11,18H2,1H3
InChIKeyDMTGIKKPZWEPFR-UHFFFAOYSA-N
XLogP3.11
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-(6-ethoxy-2-pyridinyl)-N'-(3-fluorophenyl)propane-1,3-diamine?
The IUPAC name of N'-(6-ethoxy-2-pyridinyl)-N'-(3-fluorophenyl)propane-1,3-diamine (CID 63590009) is N'-(6-ethoxy-2-pyridinyl)-N'-(3-fluorophenyl)propane-1,3-diamine.
What is the SMILES notation for N'-(6-ethoxy-2-pyridinyl)-N'-(3-fluorophenyl)propane-1,3-diamine?
The canonical SMILES for N'-(6-ethoxy-2-pyridinyl)-N'-(3-fluorophenyl)propane-1,3-diamine is CCOc1cccc(N(CCCN)c2cccc(F)c2)n1.
What is the InChIKey of N'-(6-ethoxy-2-pyridinyl)-N'-(3-fluorophenyl)propane-1,3-diamine?
The InChIKey is DMTGIKKPZWEPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-2-21-16-9-4-8-15(19-16)20(11-5-10-18)14-7-3-6-13(17)12-14/h3-4,6-9,12H,2,5,10-11,18H2,1H3.
What are the key properties of N'-(6-ethoxy-2-pyridinyl)-N'-(3-fluorophenyl)propane-1,3-diamine?
N'-(6-ethoxy-2-pyridinyl)-N'-(3-fluorophenyl)propane-1,3-diamine has a molecular weight of 289.35 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-ethoxy-2-pyridinyl)-N'-(3-fluorophenyl)propane-1,3-diamine is sourced from PubChem (CID 63590009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).