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

C15H18FN3 — CID 107368121

IUPACN'-benzyl-N'-(3-fluoro-2-pyridinyl)propane-1,3-diamine
SMILESNCCCN(Cc1ccccc1)c1ncccc1F
InChIInChI=1S/C15H18FN3/c16-14-8-4-10-18-15(14)19(11-5-9-17)12-13-6-2-1-3-7-13/h1-4,6-8,10H,5,9,11-12,17H2
InChIKeyCHLUVNMIFKCQLR-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.58
Rot. Bonds6

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

N'-benzyl-N'-(3-fluoro-2-pyridinyl)propane-1,3-diamine (PubChem CID 107368121) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is N'-benzyl-N'-(3-fluoro-2-pyridinyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-(3-fluoro-2-pyridinyl)propane-1,3-diamine
PubChem CID107368121
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC NameN'-benzyl-N'-(3-fluoro-2-pyridinyl)propane-1,3-diamine
SMILESNCCCN(Cc1ccccc1)c1ncccc1F
InChIInChI=1S/C15H18FN3/c16-14-8-4-10-18-15(14)19(11-5-9-17)12-13-6-2-1-3-7-13/h1-4,6-8,10H,5,9,11-12,17H2
InChIKeyCHLUVNMIFKCQLR-UHFFFAOYSA-N
XLogP2.58
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-(2-bromoethyl)-3-fluoropyridin-2-amine
CID 80675173
N'-benzyl-N'-(5-chloro-3-fluoro-2-pyridinyl)propane-1,3-diamine
CID 107368165
N'-benzyl-N'-(5-fluoropyrimidin-2-yl)propane-1,3-diamine
CID 107368571
N'-benzyl-N'-(3-methyl-2-pyridinyl)ethane-1,2-diamine
CID 62255300
N'-benzyl-N'-(3-bromo-2-pyridinyl)ethane-1,2-diamine
CID 61375800
N'-benzyl-N'-pyrazolo[1,5-a]pyrazin-4-ylpropane-1,3-diamine
CID 107368386
N'-benzyl-N'-(2-methyl-4-pyridinyl)propane-1,3-diamine
CID 107368407
N'-(3-fluoro-2-pyridinyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62734529
N-(3-aminopropyl)-N-benzyl-3-hydroxypyridine-2-carboxamide
CID 107366166
N'-benzyl-N'-(5-methoxypyrimidin-2-yl)propane-1,3-diamine
CID 107368222
N'-benzyl-N'-(2-chlorophenyl)propane-1,3-diamine
CID 28770789
N'-benzyl-N'-[(2,6-difluorophenyl)methyl]propane-1,3-diamine
CID 107365236

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-(3-fluoro-2-pyridinyl)propane-1,3-diamine?
The IUPAC name of N'-benzyl-N'-(3-fluoro-2-pyridinyl)propane-1,3-diamine (CID 107368121) is N'-benzyl-N'-(3-fluoro-2-pyridinyl)propane-1,3-diamine.
What is the SMILES notation for N'-benzyl-N'-(3-fluoro-2-pyridinyl)propane-1,3-diamine?
The canonical SMILES for N'-benzyl-N'-(3-fluoro-2-pyridinyl)propane-1,3-diamine is NCCCN(Cc1ccccc1)c1ncccc1F.
What is the InChIKey of N'-benzyl-N'-(3-fluoro-2-pyridinyl)propane-1,3-diamine?
The InChIKey is CHLUVNMIFKCQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c16-14-8-4-10-18-15(14)19(11-5-9-17)12-13-6-2-1-3-7-13/h1-4,6-8,10H,5,9,11-12,17H2.
What are the key properties of N'-benzyl-N'-(3-fluoro-2-pyridinyl)propane-1,3-diamine?
N'-benzyl-N'-(3-fluoro-2-pyridinyl)propane-1,3-diamine has a molecular weight of 259.33 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-(3-fluoro-2-pyridinyl)propane-1,3-diamine is sourced from PubChem (CID 107368121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).