2-(2,6-difluorophenyl)-N'-methylpropane-1,3-diamine

C10H14F2N2 — CID 20546073

IUPAC2-(2,6-difluorophenyl)-N'-methylpropane-1,3-diamine
SMILESCNCC(CN)c1c(F)cccc1F
InChIInChI=1S/C10H14F2N2/c1-14-6-7(5-13)10-8(11)3-2-4-9(10)12/h2-4,7,14H,5-6,13H2,1H3
InChIKeyVSABZZAKFAQBBB-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.23
Rot. Bonds4

About 2-(2,6-difluorophenyl)-N'-methylpropane-1,3-diamine

2-(2,6-difluorophenyl)-N'-methylpropane-1,3-diamine (PubChem CID 20546073) has the molecular formula C10H14F2N2 and a molecular weight of 200.23 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-N'-methylpropane-1,3-diamine
PubChem CID20546073
Molecular FormulaC10H14F2N2
Molecular Weight200.23 g/mol
Exact Mass200.11
IUPAC Name2-(2,6-difluorophenyl)-N'-methylpropane-1,3-diamine
SMILESCNCC(CN)c1c(F)cccc1F
InChIInChI=1S/C10H14F2N2/c1-14-6-7(5-13)10-8(11)3-2-4-9(10)12/h2-4,7,14H,5-6,13H2,1H3
InChIKeyVSABZZAKFAQBBB-UHFFFAOYSA-N
XLogP1.23
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-N'-methylpropane-1,3-diamine?
The IUPAC name of 2-(2,6-difluorophenyl)-N'-methylpropane-1,3-diamine (CID 20546073) is 2-(2,6-difluorophenyl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for 2-(2,6-difluorophenyl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for 2-(2,6-difluorophenyl)-N'-methylpropane-1,3-diamine is CNCC(CN)c1c(F)cccc1F.
What is the InChIKey of 2-(2,6-difluorophenyl)-N'-methylpropane-1,3-diamine?
The InChIKey is VSABZZAKFAQBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2/c1-14-6-7(5-13)10-8(11)3-2-4-9(10)12/h2-4,7,14H,5-6,13H2,1H3.
What are the key properties of 2-(2,6-difluorophenyl)-N'-methylpropane-1,3-diamine?
2-(2,6-difluorophenyl)-N'-methylpropane-1,3-diamine has a molecular weight of 200.23 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 20546073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).