N'-benzyl-N'-(5-chloro-3-fluoro-2-pyridinyl)propane-1,3-diamine

C15H17ClFN3 — CID 107368165

IUPACN'-benzyl-N'-(5-chloro-3-fluoro-2-pyridinyl)propane-1,3-diamine
SMILESNCCCN(Cc1ccccc1)c1ncc(Cl)cc1F
InChIInChI=1S/C15H17ClFN3/c16-13-9-14(17)15(19-10-13)20(8-4-7-18)11-12-5-2-1-3-6-12/h1-3,5-6,9-10H,4,7-8,11,18H2
InChIKeyUPCFIQUFLQVFON-UHFFFAOYSA-N
MW293.77 g/mol
LogP3.23
Rot. Bonds6

About N'-benzyl-N'-(5-chloro-3-fluoro-2-pyridinyl)propane-1,3-diamine

N'-benzyl-N'-(5-chloro-3-fluoro-2-pyridinyl)propane-1,3-diamine (PubChem CID 107368165) has the molecular formula C15H17ClFN3 and a molecular weight of 293.77 g/mol. Its IUPAC name is N'-benzyl-N'-(5-chloro-3-fluoro-2-pyridinyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-(5-chloro-3-fluoro-2-pyridinyl)propane-1,3-diamine
PubChem CID107368165
Molecular FormulaC15H17ClFN3
Molecular Weight293.77 g/mol
Exact Mass293.11
IUPAC NameN'-benzyl-N'-(5-chloro-3-fluoro-2-pyridinyl)propane-1,3-diamine
SMILESNCCCN(Cc1ccccc1)c1ncc(Cl)cc1F
InChIInChI=1S/C15H17ClFN3/c16-13-9-14(17)15(19-10-13)20(8-4-7-18)11-12-5-2-1-3-6-12/h1-3,5-6,9-10H,4,7-8,11,18H2
InChIKeyUPCFIQUFLQVFON-UHFFFAOYSA-N
XLogP3.23
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-benzyl-N'-(3-fluoro-2-pyridinyl)propane-1,3-diamine
CID 107368121
N'-benzyl-N'-(5-fluoropyrimidin-2-yl)propane-1,3-diamine
CID 107368571
N'-benzyl-N'-(5-chloro-3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 106511810
N'-benzyl-N'-(2-chlorophenyl)propane-1,3-diamine
CID 28770789
N'-benzyl-N'-(2-methyl-4-pyridinyl)propane-1,3-diamine
CID 107368407
N-benzyl-3-bromo-5-chloro-N-ethylpyridin-2-amine
CID 114836690
N'-benzyl-N'-(5-methoxypyrimidin-2-yl)propane-1,3-diamine
CID 107368222
N'-benzyl-N'-pyrazolo[1,5-a]pyrazin-4-ylpropane-1,3-diamine
CID 107368386
4-[3-aminopropyl(benzyl)amino]-5-chloro-1H-pyridazin-6-one
CID 107368526
5-[3-aminopropyl(benzyl)amino]pyrazine-2-carbonitrile
CID 107368193
N'-(3-bromo-5-chloro-2-pyridinyl)-N'-(4-fluorophenyl)propane-1,3-diamine
CID 114835413
N'-(3-bromo-5-chloro-2-pyridinyl)-N'-propylpropane-1,3-diamine
CID 114835420

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-(5-chloro-3-fluoro-2-pyridinyl)propane-1,3-diamine?
The IUPAC name of N'-benzyl-N'-(5-chloro-3-fluoro-2-pyridinyl)propane-1,3-diamine (CID 107368165) is N'-benzyl-N'-(5-chloro-3-fluoro-2-pyridinyl)propane-1,3-diamine.
What is the SMILES notation for N'-benzyl-N'-(5-chloro-3-fluoro-2-pyridinyl)propane-1,3-diamine?
The canonical SMILES for N'-benzyl-N'-(5-chloro-3-fluoro-2-pyridinyl)propane-1,3-diamine is NCCCN(Cc1ccccc1)c1ncc(Cl)cc1F.
What is the InChIKey of N'-benzyl-N'-(5-chloro-3-fluoro-2-pyridinyl)propane-1,3-diamine?
The InChIKey is UPCFIQUFLQVFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3/c16-13-9-14(17)15(19-10-13)20(8-4-7-18)11-12-5-2-1-3-6-12/h1-3,5-6,9-10H,4,7-8,11,18H2.
What are the key properties of N'-benzyl-N'-(5-chloro-3-fluoro-2-pyridinyl)propane-1,3-diamine?
N'-benzyl-N'-(5-chloro-3-fluoro-2-pyridinyl)propane-1,3-diamine has a molecular weight of 293.77 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-(5-chloro-3-fluoro-2-pyridinyl)propane-1,3-diamine is sourced from PubChem (CID 107368165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).