N'-benzyl-N'-[(2,6-difluorophenyl)methyl]propane-1,3-diamine

C17H20F2N2 — CID 107365236

IUPACN'-benzyl-N'-[(2,6-difluorophenyl)methyl]propane-1,3-diamine
SMILESNCCCN(Cc1ccccc1)Cc1c(F)cccc1F
InChIInChI=1S/C17H20F2N2/c18-16-8-4-9-17(19)15(16)13-21(11-5-10-20)12-14-6-2-1-3-7-14/h1-4,6-9H,5,10-13,20H2
InChIKeyWESNJIHACTXSSS-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.32
Rot. Bonds7

About N'-benzyl-N'-[(2,6-difluorophenyl)methyl]propane-1,3-diamine

N'-benzyl-N'-[(2,6-difluorophenyl)methyl]propane-1,3-diamine (PubChem CID 107365236) has the molecular formula C17H20F2N2 and a molecular weight of 290.36 g/mol. Its IUPAC name is N'-benzyl-N'-[(2,6-difluorophenyl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-[(2,6-difluorophenyl)methyl]propane-1,3-diamine
PubChem CID107365236
Molecular FormulaC17H20F2N2
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN'-benzyl-N'-[(2,6-difluorophenyl)methyl]propane-1,3-diamine
SMILESNCCCN(Cc1ccccc1)Cc1c(F)cccc1F
InChIInChI=1S/C17H20F2N2/c18-16-8-4-9-17(19)15(16)13-21(11-5-10-20)12-14-6-2-1-3-7-14/h1-4,6-9H,5,10-13,20H2
InChIKeyWESNJIHACTXSSS-UHFFFAOYSA-N
XLogP3.32
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-benzyl-N'-(3-fluoropropyl)propane-1,3-diamine
CID 107367851
N'-benzyl-N'-[(2-bromo-5-fluorophenyl)methyl]propane-1,3-diamine
CID 107366867
N'-benzyl-N'-[(5-bromo-2-fluorophenyl)methyl]propane-1,3-diamine
CID 107365337
N'-benzyl-N'-[(2-bromo-4-fluorophenyl)methyl]propane-1,3-diamine
CID 107367498
N',N'-dibenzylethane-1,2-diamine;hydrochloride
CID 6460674
N,N,N',N'-tetrabenzylpentane-1,5-diamine
CID 134925977
N'-benzyl-N'-(2-methylidenebutyl)propane-1,3-diamine
CID 107367618
N'-benzyl-N'-(3-ethylsulfonylpropyl)propane-1,3-diamine
CID 107367797
N'-benzyl-N'-but-3-enylpropane-1,3-diamine
CID 107367467
N'-benzyl-N'-but-3-ynylpropane-1,3-diamine
CID 107367143
N'-benzyl-N'-[2-(trifluoromethoxy)ethyl]propane-1,3-diamine
CID 107367846
1-[3-aminopropyl(benzyl)amino]butan-2-ol
CID 107367330

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-[(2,6-difluorophenyl)methyl]propane-1,3-diamine?
The IUPAC name of N'-benzyl-N'-[(2,6-difluorophenyl)methyl]propane-1,3-diamine (CID 107365236) is N'-benzyl-N'-[(2,6-difluorophenyl)methyl]propane-1,3-diamine.
What is the SMILES notation for N'-benzyl-N'-[(2,6-difluorophenyl)methyl]propane-1,3-diamine?
The canonical SMILES for N'-benzyl-N'-[(2,6-difluorophenyl)methyl]propane-1,3-diamine is NCCCN(Cc1ccccc1)Cc1c(F)cccc1F.
What is the InChIKey of N'-benzyl-N'-[(2,6-difluorophenyl)methyl]propane-1,3-diamine?
The InChIKey is WESNJIHACTXSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2/c18-16-8-4-9-17(19)15(16)13-21(11-5-10-20)12-14-6-2-1-3-7-14/h1-4,6-9H,5,10-13,20H2.
What are the key properties of N'-benzyl-N'-[(2,6-difluorophenyl)methyl]propane-1,3-diamine?
N'-benzyl-N'-[(2,6-difluorophenyl)methyl]propane-1,3-diamine has a molecular weight of 290.36 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-[(2,6-difluorophenyl)methyl]propane-1,3-diamine is sourced from PubChem (CID 107365236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).