3-N-(2,4-difluorophenyl)propane-1,2,3-triamine

C9H13F2N3 — CID 115119393

IUPAC3-N-(2,4-difluorophenyl)propane-1,2,3-triamine
SMILESNCC(N)CNc1ccc(F)cc1F
InChIInChI=1S/C9H13F2N3/c10-6-1-2-9(8(11)3-6)14-5-7(13)4-12/h1-3,7,14H,4-5,12-13H2
InChIKeyZENJRERWAFTLLA-UHFFFAOYSA-N
MW201.22 g/mol
LogP0.66
Rot. Bonds4

About 3-N-(2,4-difluorophenyl)propane-1,2,3-triamine

3-N-(2,4-difluorophenyl)propane-1,2,3-triamine (PubChem CID 115119393) has the molecular formula C9H13F2N3 and a molecular weight of 201.22 g/mol. Its IUPAC name is 3-N-(2,4-difluorophenyl)propane-1,2,3-triamine.

Molecular Properties

Compound Name3-N-(2,4-difluorophenyl)propane-1,2,3-triamine
PubChem CID115119393
Molecular FormulaC9H13F2N3
Molecular Weight201.22 g/mol
Exact Mass201.11
IUPAC Name3-N-(2,4-difluorophenyl)propane-1,2,3-triamine
SMILESNCC(N)CNc1ccc(F)cc1F
InChIInChI=1S/C9H13F2N3/c10-6-1-2-9(8(11)3-6)14-5-7(13)4-12/h1-3,7,14H,4-5,12-13H2
InChIKeyZENJRERWAFTLLA-UHFFFAOYSA-N
XLogP0.66
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-(2,4-difluoroanilino)butanoic acid
CID 115241465
N-(2,2-difluoroethyl)-2,4-difluoroaniline
CID 60922655
3-N-(3,4-difluorophenyl)propane-1,2,3-triamine
CID 115119376
2,4-difluoro-N-(3-fluoropropyl)aniline
CID 81106316
3-(2,4-difluoroanilino)-N'-hydroxy-2-methylpropanimidamide
CID 77027484
1-N-(2,4-difluorophenyl)pentane-1,4-diamine
CID 115203586
2-(2,4-difluoroanilino)-1-phenylethanol
CID 60721673
(2S)-1-N-(2,4-difluorophenyl)-3-[(5-ethyl-3-pyridinyl)oxy]propane-1,2-diamine
CID 71051457
2-(2,4-difluoroanilino)-1-(2-fluorophenyl)ethanol
CID 60901832
1-(4-amino-3-methylbutan-2-yl)-3-(2,4-difluorophenyl)urea
CID 113485155
3-amino-2-(2,4-difluoroanilino)propanoic acid
CID 130492138
N'-(4-fluoro-2-iodophenyl)-2-methylpropane-1,3-diamine
CID 126985657

Frequently Asked Questions

What is the IUPAC name of 3-N-(2,4-difluorophenyl)propane-1,2,3-triamine?
The IUPAC name of 3-N-(2,4-difluorophenyl)propane-1,2,3-triamine (CID 115119393) is 3-N-(2,4-difluorophenyl)propane-1,2,3-triamine.
What is the SMILES notation for 3-N-(2,4-difluorophenyl)propane-1,2,3-triamine?
The canonical SMILES for 3-N-(2,4-difluorophenyl)propane-1,2,3-triamine is NCC(N)CNc1ccc(F)cc1F.
What is the InChIKey of 3-N-(2,4-difluorophenyl)propane-1,2,3-triamine?
The InChIKey is ZENJRERWAFTLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3/c10-6-1-2-9(8(11)3-6)14-5-7(13)4-12/h1-3,7,14H,4-5,12-13H2.
What are the key properties of 3-N-(2,4-difluorophenyl)propane-1,2,3-triamine?
3-N-(2,4-difluorophenyl)propane-1,2,3-triamine has a molecular weight of 201.22 g/mol, XLogP of 0.66, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2,4-difluorophenyl)propane-1,2,3-triamine is sourced from PubChem (CID 115119393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).