2-(2-fluorophenyl)-N'-methylpropane-1,3-diamine

C10H15FN2 — CID 20546166

IUPAC2-(2-fluorophenyl)-N'-methylpropane-1,3-diamine
SMILESCNCC(CN)c1ccccc1F
InChIInChI=1S/C10H15FN2/c1-13-7-8(6-12)9-4-2-3-5-10(9)11/h2-5,8,13H,6-7,12H2,1H3
InChIKeyGXRUOVMLXAJPSB-UHFFFAOYSA-N
MW182.24 g/mol
LogP1.09
Rot. Bonds4

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

2-(2-fluorophenyl)-N'-methylpropane-1,3-diamine (PubChem CID 20546166) has the molecular formula C10H15FN2 and a molecular weight of 182.24 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N'-methylpropane-1,3-diamine
PubChem CID20546166
Molecular FormulaC10H15FN2
Molecular Weight182.24 g/mol
Exact Mass182.12
IUPAC Name2-(2-fluorophenyl)-N'-methylpropane-1,3-diamine
SMILESCNCC(CN)c1ccccc1F
InChIInChI=1S/C10H15FN2/c1-13-7-8(6-12)9-4-2-3-5-10(9)11/h2-5,8,13H,6-7,12H2,1H3
InChIKeyGXRUOVMLXAJPSB-UHFFFAOYSA-N
XLogP1.09
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N'-methylpropane-1,3-diamine?
The IUPAC name of 2-(2-fluorophenyl)-N'-methylpropane-1,3-diamine (CID 20546166) is 2-(2-fluorophenyl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for 2-(2-fluorophenyl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for 2-(2-fluorophenyl)-N'-methylpropane-1,3-diamine is CNCC(CN)c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-N'-methylpropane-1,3-diamine?
The InChIKey is GXRUOVMLXAJPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2/c1-13-7-8(6-12)9-4-2-3-5-10(9)11/h2-5,8,13H,6-7,12H2,1H3.
What are the key properties of 2-(2-fluorophenyl)-N'-methylpropane-1,3-diamine?
2-(2-fluorophenyl)-N'-methylpropane-1,3-diamine has a molecular weight of 182.24 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 20546166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).