3-dibenzofuran-2-ylpropan-1-amine chloride

C15H15ClNO- — CID 5351909

IUPAC3-dibenzofuran-2-ylpropan-1-amine chloride
SMILESNCCCc1ccc2oc3ccccc3c2c1.[Cl-]
InChIInChI=1S/C15H15NO.ClH/c16-9-3-4-11-7-8-15-13(10-11)12-5-1-2-6-14(12)17-15;/h1-2,5-8,10H,3-4,9,16H2;1H/p-1
InChIKeyRXDPWZFOACYHDS-UHFFFAOYSA-M
MW260.74 g/mol
LogP0.48
Rot. Bonds3

About 3-dibenzofuran-2-ylpropan-1-amine chloride

3-dibenzofuran-2-ylpropan-1-amine chloride (PubChem CID 5351909) has the molecular formula C15H15ClNO- and a molecular weight of 260.74 g/mol. Its IUPAC name is 3-dibenzofuran-2-ylpropan-1-amine chloride.

Molecular Properties

Compound Name3-dibenzofuran-2-ylpropan-1-amine chloride
PubChem CID5351909
Molecular FormulaC15H15ClNO-
Molecular Weight260.74 g/mol
Exact Mass260.08
IUPAC Name3-dibenzofuran-2-ylpropan-1-amine chloride
SMILESNCCCc1ccc2oc3ccccc3c2c1.[Cl-]
InChIInChI=1S/C15H15NO.ClH/c16-9-3-4-11-7-8-15-13(10-11)12-5-1-2-6-14(12)17-15;/h1-2,5-8,10H,3-4,9,16H2;1H/p-1
InChIKeyRXDPWZFOACYHDS-UHFFFAOYSA-M
XLogP0.48
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.74
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-dibenzofuran-2-ylpropan-1-amine chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-2-ylpropan-1-amine chloride?
The IUPAC name of 3-dibenzofuran-2-ylpropan-1-amine chloride (CID 5351909) is 3-dibenzofuran-2-ylpropan-1-amine chloride.
What is the SMILES notation for 3-dibenzofuran-2-ylpropan-1-amine chloride?
The canonical SMILES for 3-dibenzofuran-2-ylpropan-1-amine chloride is NCCCc1ccc2oc3ccccc3c2c1.[Cl-].
What is the InChIKey of 3-dibenzofuran-2-ylpropan-1-amine chloride?
The InChIKey is RXDPWZFOACYHDS-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H15NO.ClH/c16-9-3-4-11-7-8-15-13(10-11)12-5-1-2-6-14(12)17-15;/h1-2,5-8,10H,3-4,9,16H2;1H/p-1.
What are the key properties of 3-dibenzofuran-2-ylpropan-1-amine chloride?
3-dibenzofuran-2-ylpropan-1-amine chloride has a molecular weight of 260.74 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-2-ylpropan-1-amine chloride is sourced from PubChem (CID 5351909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).