5-(2,5-dibromophenyl)pentan-1-amine

C11H15Br2N — CID 65301153

IUPAC5-(2,5-dibromophenyl)pentan-1-amine
SMILESNCCCCCc1cc(Br)ccc1Br
InChIInChI=1S/C11H15Br2N/c12-10-5-6-11(13)9(8-10)4-2-1-3-7-14/h5-6,8H,1-4,7,14H2
InChIKeyVKFUPWYBLUITDL-UHFFFAOYSA-N
MW321.06 g/mol
LogP3.88
Rot. Bonds5

About 5-(2,5-dibromophenyl)pentan-1-amine

5-(2,5-dibromophenyl)pentan-1-amine (PubChem CID 65301153) has the molecular formula C11H15Br2N and a molecular weight of 321.06 g/mol. Its IUPAC name is 5-(2,5-dibromophenyl)pentan-1-amine.

Molecular Properties

Compound Name5-(2,5-dibromophenyl)pentan-1-amine
PubChem CID65301153
Molecular FormulaC11H15Br2N
Molecular Weight321.06 g/mol
Exact Mass318.96
IUPAC Name5-(2,5-dibromophenyl)pentan-1-amine
SMILESNCCCCCc1cc(Br)ccc1Br
InChIInChI=1S/C11H15Br2N/c12-10-5-6-11(13)9(8-10)4-2-1-3-7-14/h5-6,8H,1-4,7,14H2
InChIKeyVKFUPWYBLUITDL-UHFFFAOYSA-N
XLogP3.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.06
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 5-(2,5-dibromophenyl)pentan-1-amine?
The IUPAC name of 5-(2,5-dibromophenyl)pentan-1-amine (CID 65301153) is 5-(2,5-dibromophenyl)pentan-1-amine.
What is the SMILES notation for 5-(2,5-dibromophenyl)pentan-1-amine?
The canonical SMILES for 5-(2,5-dibromophenyl)pentan-1-amine is NCCCCCc1cc(Br)ccc1Br.
What is the InChIKey of 5-(2,5-dibromophenyl)pentan-1-amine?
The InChIKey is VKFUPWYBLUITDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br2N/c12-10-5-6-11(13)9(8-10)4-2-1-3-7-14/h5-6,8H,1-4,7,14H2.
What are the key properties of 5-(2,5-dibromophenyl)pentan-1-amine?
5-(2,5-dibromophenyl)pentan-1-amine has a molecular weight of 321.06 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dibromophenyl)pentan-1-amine is sourced from PubChem (CID 65301153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).