1-(5-fluoro-2-pyridinyl)-N'-(furan-3-ylmethyl)-N',2-dimethylpropane-1,3-diamine

C15H20FN3O — CID 115941314

IUPAC1-(5-fluoro-2-pyridinyl)-N'-(furan-3-ylmethyl)-N',2-dimethylpropane-1,3-diamine
SMILESCC(CN(C)Cc1ccoc1)C(N)c1ccc(F)cn1
InChIInChI=1S/C15H20FN3O/c1-11(8-19(2)9-12-5-6-20-10-12)15(17)14-4-3-13(16)7-18-14/h3-7,10-11,15H,8-9,17H2,1-2H3
InChIKeyQSMCHSPAEUAWGJ-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.58
Rot. Bonds6

About 1-(5-fluoro-2-pyridinyl)-N'-(furan-3-ylmethyl)-N',2-dimethylpropane-1,3-diamine

1-(5-fluoro-2-pyridinyl)-N'-(furan-3-ylmethyl)-N',2-dimethylpropane-1,3-diamine (PubChem CID 115941314) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-N'-(furan-3-ylmethyl)-N',2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-N'-(furan-3-ylmethyl)-N',2-dimethylpropane-1,3-diamine
PubChem CID115941314
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name1-(5-fluoro-2-pyridinyl)-N'-(furan-3-ylmethyl)-N',2-dimethylpropane-1,3-diamine
SMILESCC(CN(C)Cc1ccoc1)C(N)c1ccc(F)cn1
InChIInChI=1S/C15H20FN3O/c1-11(8-19(2)9-12-5-6-20-10-12)15(17)14-4-3-13(16)7-18-14/h3-7,10-11,15H,8-9,17H2,1-2H3
InChIKeyQSMCHSPAEUAWGJ-UHFFFAOYSA-N
XLogP2.58
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-ethyl-1-(5-fluoro-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine
CID 112586276
1-(5-fluoro-2-pyridinyl)-N',2-dimethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 115941207
1-(5-fluoro-2-pyridinyl)-N',2-dimethyl-N'-(3-methylbutyl)propane-1,3-diamine
CID 112586326
1-(2-fluorophenyl)-N'-(furan-3-ylmethyl)-N',2-dimethylpropane-1,3-diamine
CID 115996861
1-(5-fluoro-2-pyridinyl)-N',2-dimethyl-N'-(2-methylsulfanylethyl)propane-1,3-diamine
CID 112664627
1-(5-fluoro-2-pyridinyl)-3-[furan-3-ylmethyl(methyl)amino]propan-1-ol
CID 83126811
1-(5-fluoro-2-pyridinyl)-N',2-dimethyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine
CID 115941386
1-(5-fluoro-2-pyridinyl)-N-(furan-3-ylmethyl)ethanamine
CID 115886247
N'-butyl-N'-ethyl-1-(5-fluoro-2-pyridinyl)-2-methylpropane-1,3-diamine
CID 112586264
1-(5-fluoro-2-pyridinyl)-2-methyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine
CID 112586299
1-[furan-3-ylmethyl(methyl)amino]propan-2-ol
CID 61422954
(2S)-1-[furan-3-ylmethyl(methyl)amino]propan-2-ol
CID 106932749

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-N'-(furan-3-ylmethyl)-N',2-dimethylpropane-1,3-diamine?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-N'-(furan-3-ylmethyl)-N',2-dimethylpropane-1,3-diamine (CID 115941314) is 1-(5-fluoro-2-pyridinyl)-N'-(furan-3-ylmethyl)-N',2-dimethylpropane-1,3-diamine.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-N'-(furan-3-ylmethyl)-N',2-dimethylpropane-1,3-diamine?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-N'-(furan-3-ylmethyl)-N',2-dimethylpropane-1,3-diamine is CC(CN(C)Cc1ccoc1)C(N)c1ccc(F)cn1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-N'-(furan-3-ylmethyl)-N',2-dimethylpropane-1,3-diamine?
The InChIKey is QSMCHSPAEUAWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-11(8-19(2)9-12-5-6-20-10-12)15(17)14-4-3-13(16)7-18-14/h3-7,10-11,15H,8-9,17H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-N'-(furan-3-ylmethyl)-N',2-dimethylpropane-1,3-diamine?
1-(5-fluoro-2-pyridinyl)-N'-(furan-3-ylmethyl)-N',2-dimethylpropane-1,3-diamine has a molecular weight of 277.34 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-N'-(furan-3-ylmethyl)-N',2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 115941314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).