N'-(5-fluoro-1-benzofuran-2-yl)propane-1,3-diamine

C11H13FN2O — CID 114732622

IUPACN'-(5-fluoro-1-benzofuran-2-yl)propane-1,3-diamine
SMILESNCCCNc1cc2cc(F)ccc2o1
InChIInChI=1S/C11H13FN2O/c12-9-2-3-10-8(6-9)7-11(15-10)14-5-1-4-13/h2-3,6-7,14H,1,4-5,13H2
InChIKeyRZIBUYNSRCAWJO-UHFFFAOYSA-N
MW208.24 g/mol
LogP2.33
Rot. Bonds4

About N'-(5-fluoro-1-benzofuran-2-yl)propane-1,3-diamine

N'-(5-fluoro-1-benzofuran-2-yl)propane-1,3-diamine (PubChem CID 114732622) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is N'-(5-fluoro-1-benzofuran-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(5-fluoro-1-benzofuran-2-yl)propane-1,3-diamine
PubChem CID114732622
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC NameN'-(5-fluoro-1-benzofuran-2-yl)propane-1,3-diamine
SMILESNCCCNc1cc2cc(F)ccc2o1
InChIInChI=1S/C11H13FN2O/c12-9-2-3-10-8(6-9)7-11(15-10)14-5-1-4-13/h2-3,6-7,14H,1,4-5,13H2
InChIKeyRZIBUYNSRCAWJO-UHFFFAOYSA-N
XLogP2.33
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(5-methyl-1-benzofuran-2-yl)propane-1,3-diamine
CID 114732599
3-(5-fluoro-1-benzofuran-2-yl)-3-methylbutan-1-amine
CID 114735490
N'-(5-fluoro-1,2-benzoxazol-3-yl)propane-1,3-diamine
CID 83834388
N'-(4-fluorophenyl)propane-1,3-diamine
CID 28766537
N-[(5-fluoro-1-benzofuran-2-yl)methyl]propan-2-amine
CID 65438994
2-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 114735425
[1-(5-fluoro-1-benzofuran-2-yl)-2-propylpentyl]hydrazine
CID 105338630
1-(5-fluoro-1-benzofuran-2-yl)propylhydrazine
CID 105201183
1-(5-fluoro-1-benzofuran-2-yl)decan-1-amine
CID 105046157
1-(5-fluoro-1-benzofuran-2-yl)propan-1-one
CID 65426130
2-(4-aminophenyl)-1-(5-fluoro-1-benzofuran-2-yl)ethanone
CID 114736180
1-(5-fluoro-1-benzofuran-2-yl)-2-methoxyethanamine
CID 114728098

Frequently Asked Questions

What is the IUPAC name of N'-(5-fluoro-1-benzofuran-2-yl)propane-1,3-diamine?
The IUPAC name of N'-(5-fluoro-1-benzofuran-2-yl)propane-1,3-diamine (CID 114732622) is N'-(5-fluoro-1-benzofuran-2-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(5-fluoro-1-benzofuran-2-yl)propane-1,3-diamine?
The canonical SMILES for N'-(5-fluoro-1-benzofuran-2-yl)propane-1,3-diamine is NCCCNc1cc2cc(F)ccc2o1.
What is the InChIKey of N'-(5-fluoro-1-benzofuran-2-yl)propane-1,3-diamine?
The InChIKey is RZIBUYNSRCAWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O/c12-9-2-3-10-8(6-9)7-11(15-10)14-5-1-4-13/h2-3,6-7,14H,1,4-5,13H2.
What are the key properties of N'-(5-fluoro-1-benzofuran-2-yl)propane-1,3-diamine?
N'-(5-fluoro-1-benzofuran-2-yl)propane-1,3-diamine has a molecular weight of 208.24 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-fluoro-1-benzofuran-2-yl)propane-1,3-diamine is sourced from PubChem (CID 114732622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).