N'-(6-ethoxy-2-pyridinyl)-N'-(4-fluorophenyl)propane-1,3-diamine

C16H20FN3O — CID 63589833

IUPACN'-(6-ethoxy-2-pyridinyl)-N'-(4-fluorophenyl)propane-1,3-diamine
SMILESCCOc1cccc(N(CCCN)c2ccc(F)cc2)n1
InChIInChI=1S/C16H20FN3O/c1-2-21-16-6-3-5-15(19-16)20(12-4-11-18)14-9-7-13(17)8-10-14/h3,5-10H,2,4,11-12,18H2,1H3
InChIKeyJLHSPZMJJPLPHJ-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.11
Rot. Bonds7

About N'-(6-ethoxy-2-pyridinyl)-N'-(4-fluorophenyl)propane-1,3-diamine

N'-(6-ethoxy-2-pyridinyl)-N'-(4-fluorophenyl)propane-1,3-diamine (PubChem CID 63589833) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is N'-(6-ethoxy-2-pyridinyl)-N'-(4-fluorophenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(6-ethoxy-2-pyridinyl)-N'-(4-fluorophenyl)propane-1,3-diamine
PubChem CID63589833
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC NameN'-(6-ethoxy-2-pyridinyl)-N'-(4-fluorophenyl)propane-1,3-diamine
SMILESCCOc1cccc(N(CCCN)c2ccc(F)cc2)n1
InChIInChI=1S/C16H20FN3O/c1-2-21-16-6-3-5-15(19-16)20(12-4-11-18)14-9-7-13(17)8-10-14/h3,5-10H,2,4,11-12,18H2,1H3
InChIKeyJLHSPZMJJPLPHJ-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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Related Compounds

N'-(6-ethoxy-2-pyridinyl)-N'-(3-fluorophenyl)propane-1,3-diamine
CID 63590009
N'-(4-methoxyphenyl)-N'-(6-methoxy-2-pyridinyl)propane-1,3-diamine
CID 63590194
N'-(6-ethoxy-2-methylpyrimidin-4-yl)-N'-phenylpropane-1,3-diamine
CID 66333111
N'-(4-ethoxypyrimidin-2-yl)-N'-(3-fluorophenyl)propane-1,3-diamine
CID 115974267
N'-(6-ethoxy-2-pyridinyl)-N'-propan-2-ylethane-1,2-diamine
CID 63586844
N'-(5-chloro-2-pyridinyl)-N'-(4-fluorophenyl)propane-1,3-diamine
CID 60871203
N'-(4-fluorophenyl)-N'-(5-methylpyrimidin-2-yl)propane-1,3-diamine
CID 63208164
N'-(4-methoxyphenyl)-N'-pyridin-2-ylpropane-1,3-diamine
CID 43319000
N'-(4-fluorophenyl)-N'-pyridin-4-ylpropane-1,3-diamine
CID 43136242
N'-phenyl-N'-(6-propoxypyrimidin-4-yl)propane-1,3-diamine
CID 66332580
N'-(3-bromo-5-chloro-2-pyridinyl)-N'-(4-fluorophenyl)propane-1,3-diamine
CID 114835413
N'-(3-bromo-5-methyl-2-pyridinyl)-N'-(4-fluorophenyl)propane-1,3-diamine
CID 105366470

Frequently Asked Questions

What is the IUPAC name of N'-(6-ethoxy-2-pyridinyl)-N'-(4-fluorophenyl)propane-1,3-diamine?
The IUPAC name of N'-(6-ethoxy-2-pyridinyl)-N'-(4-fluorophenyl)propane-1,3-diamine (CID 63589833) is N'-(6-ethoxy-2-pyridinyl)-N'-(4-fluorophenyl)propane-1,3-diamine.
What is the SMILES notation for N'-(6-ethoxy-2-pyridinyl)-N'-(4-fluorophenyl)propane-1,3-diamine?
The canonical SMILES for N'-(6-ethoxy-2-pyridinyl)-N'-(4-fluorophenyl)propane-1,3-diamine is CCOc1cccc(N(CCCN)c2ccc(F)cc2)n1.
What is the InChIKey of N'-(6-ethoxy-2-pyridinyl)-N'-(4-fluorophenyl)propane-1,3-diamine?
The InChIKey is JLHSPZMJJPLPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-2-21-16-6-3-5-15(19-16)20(12-4-11-18)14-9-7-13(17)8-10-14/h3,5-10H,2,4,11-12,18H2,1H3.
What are the key properties of N'-(6-ethoxy-2-pyridinyl)-N'-(4-fluorophenyl)propane-1,3-diamine?
N'-(6-ethoxy-2-pyridinyl)-N'-(4-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'-(4-fluorophenyl)propane-1,3-diamine is sourced from PubChem (CID 63589833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).