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

C9H13F2N3 — CID 115119376

IUPAC3-N-(3,4-difluorophenyl)propane-1,2,3-triamine
SMILESNCC(N)CNc1ccc(F)c(F)c1
InChIInChI=1S/C9H13F2N3/c10-8-2-1-7(3-9(8)11)14-5-6(13)4-12/h1-3,6,14H,4-5,12-13H2
InChIKeyOAMMSSSZZMJPKR-UHFFFAOYSA-N
MW201.22 g/mol
LogP0.66
Rot. Bonds4

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

3-N-(3,4-difluorophenyl)propane-1,2,3-triamine (PubChem CID 115119376) has the molecular formula C9H13F2N3 and a molecular weight of 201.22 g/mol. Its IUPAC name is 3-N-(3,4-difluorophenyl)propane-1,2,3-triamine.

Molecular Properties

Compound Name3-N-(3,4-difluorophenyl)propane-1,2,3-triamine
PubChem CID115119376
Molecular FormulaC9H13F2N3
Molecular Weight201.22 g/mol
Exact Mass201.11
IUPAC Name3-N-(3,4-difluorophenyl)propane-1,2,3-triamine
SMILESNCC(N)CNc1ccc(F)c(F)c1
InChIInChI=1S/C9H13F2N3/c10-8-2-1-7(3-9(8)11)14-5-6(13)4-12/h1-3,6,14H,4-5,12-13H2
InChIKeyOAMMSSSZZMJPKR-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

N'-(3,4-difluorophenyl)-2-propan-2-ylpropane-1,3-diamine
CID 107441027
N'-(3,4-difluorophenyl)butane-1,4-diamine
CID 83953114
3-N-(2,4-difluorophenyl)propane-1,2,3-triamine
CID 115119393
2-amino-N-(3,4-difluorophenyl)acetamide
CID 2410802
(3,4-difluoroanilino)methanethiol
CID 115227598
methyl 2-bromo-3-(3,4-difluoroanilino)propanoate
CID 103234037
3-N-(3-ethyl-4-methoxyphenyl)propane-1,2,3-triamine
CID 115119386
N'-(4-chloro-3-fluorophenyl)-2-methylpropane-1,3-diamine
CID 130604425
2-N-(3,4-difluorophenyl)-3-methylbutane-1,2-diamine
CID 115137890
2-[(3,4-difluoroanilino)methyl]butanedioic acid
CID 115144524
N'-(4-fluoro-3-methylphenyl)-2-propan-2-ylpropane-1,3-diamine
CID 107442185
5-(2,3-diaminopropylamino)-1,3-dihydroindol-2-one
CID 115119380

Frequently Asked Questions

What is the IUPAC name of 3-N-(3,4-difluorophenyl)propane-1,2,3-triamine?
The IUPAC name of 3-N-(3,4-difluorophenyl)propane-1,2,3-triamine (CID 115119376) is 3-N-(3,4-difluorophenyl)propane-1,2,3-triamine.
What is the SMILES notation for 3-N-(3,4-difluorophenyl)propane-1,2,3-triamine?
The canonical SMILES for 3-N-(3,4-difluorophenyl)propane-1,2,3-triamine is NCC(N)CNc1ccc(F)c(F)c1.
What is the InChIKey of 3-N-(3,4-difluorophenyl)propane-1,2,3-triamine?
The InChIKey is OAMMSSSZZMJPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3/c10-8-2-1-7(3-9(8)11)14-5-6(13)4-12/h1-3,6,14H,4-5,12-13H2.
What are the key properties of 3-N-(3,4-difluorophenyl)propane-1,2,3-triamine?
3-N-(3,4-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-(3,4-difluorophenyl)propane-1,2,3-triamine is sourced from PubChem (CID 115119376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).