3-[[2-amino-1-(5-bromofuran-2-yl)ethyl]amino]propan-1-ol

C9H15BrN2O2 — CID 65376147

IUPAC3-[[2-amino-1-(5-bromofuran-2-yl)ethyl]amino]propan-1-ol
SMILESNCC(NCCCO)c1ccc(Br)o1
InChIInChI=1S/C9H15BrN2O2/c10-9-3-2-8(14-9)7(6-11)12-4-1-5-13/h2-3,7,12-13H,1,4-6,11H2
InChIKeyDYKTZZTWGAZXJS-UHFFFAOYSA-N
MW263.13 g/mol
LogP1.01
Rot. Bonds6

About 3-[[2-amino-1-(5-bromofuran-2-yl)ethyl]amino]propan-1-ol

3-[[2-amino-1-(5-bromofuran-2-yl)ethyl]amino]propan-1-ol (PubChem CID 65376147) has the molecular formula C9H15BrN2O2 and a molecular weight of 263.13 g/mol. Its IUPAC name is 3-[[2-amino-1-(5-bromofuran-2-yl)ethyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[2-amino-1-(5-bromofuran-2-yl)ethyl]amino]propan-1-ol
PubChem CID65376147
Molecular FormulaC9H15BrN2O2
Molecular Weight263.13 g/mol
Exact Mass262.03
IUPAC Name3-[[2-amino-1-(5-bromofuran-2-yl)ethyl]amino]propan-1-ol
SMILESNCC(NCCCO)c1ccc(Br)o1
InChIInChI=1S/C9H15BrN2O2/c10-9-3-2-8(14-9)7(6-11)12-4-1-5-13/h2-3,7,12-13H,1,4-6,11H2
InChIKeyDYKTZZTWGAZXJS-UHFFFAOYSA-N
XLogP1.01
TPSA71.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.13
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-amino-1-(5-bromofuran-2-yl)ethyl]amino]propan-1-ol?
The IUPAC name of 3-[[2-amino-1-(5-bromofuran-2-yl)ethyl]amino]propan-1-ol (CID 65376147) is 3-[[2-amino-1-(5-bromofuran-2-yl)ethyl]amino]propan-1-ol.
What is the SMILES notation for 3-[[2-amino-1-(5-bromofuran-2-yl)ethyl]amino]propan-1-ol?
The canonical SMILES for 3-[[2-amino-1-(5-bromofuran-2-yl)ethyl]amino]propan-1-ol is NCC(NCCCO)c1ccc(Br)o1.
What is the InChIKey of 3-[[2-amino-1-(5-bromofuran-2-yl)ethyl]amino]propan-1-ol?
The InChIKey is DYKTZZTWGAZXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN2O2/c10-9-3-2-8(14-9)7(6-11)12-4-1-5-13/h2-3,7,12-13H,1,4-6,11H2.
What are the key properties of 3-[[2-amino-1-(5-bromofuran-2-yl)ethyl]amino]propan-1-ol?
3-[[2-amino-1-(5-bromofuran-2-yl)ethyl]amino]propan-1-ol has a molecular weight of 263.13 g/mol, XLogP of 1.01, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-amino-1-(5-bromofuran-2-yl)ethyl]amino]propan-1-ol is sourced from PubChem (CID 65376147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).