6-(2,5-dibromophenyl)hexan-1-amine

C12H17Br2N — CID 65301155

IUPAC6-(2,5-dibromophenyl)hexan-1-amine
SMILESNCCCCCCc1cc(Br)ccc1Br
InChIInChI=1S/C12H17Br2N/c13-11-6-7-12(14)10(9-11)5-3-1-2-4-8-15/h6-7,9H,1-5,8,15H2
InChIKeyUFJWVZJNRXPVSC-UHFFFAOYSA-N
MW335.08 g/mol
LogP4.27
Rot. Bonds6

About 6-(2,5-dibromophenyl)hexan-1-amine

6-(2,5-dibromophenyl)hexan-1-amine (PubChem CID 65301155) has the molecular formula C12H17Br2N and a molecular weight of 335.08 g/mol. Its IUPAC name is 6-(2,5-dibromophenyl)hexan-1-amine.

Molecular Properties

Compound Name6-(2,5-dibromophenyl)hexan-1-amine
PubChem CID65301155
Molecular FormulaC12H17Br2N
Molecular Weight335.08 g/mol
Exact Mass332.97
IUPAC Name6-(2,5-dibromophenyl)hexan-1-amine
SMILESNCCCCCCc1cc(Br)ccc1Br
InChIInChI=1S/C12H17Br2N/c13-11-6-7-12(14)10(9-11)5-3-1-2-4-8-15/h6-7,9H,1-5,8,15H2
InChIKeyUFJWVZJNRXPVSC-UHFFFAOYSA-N
XLogP4.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.08
LogP ≤ 54.27
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 6-(2,5-dibromophenyl)hexan-1-amine?
The IUPAC name of 6-(2,5-dibromophenyl)hexan-1-amine (CID 65301155) is 6-(2,5-dibromophenyl)hexan-1-amine.
What is the SMILES notation for 6-(2,5-dibromophenyl)hexan-1-amine?
The canonical SMILES for 6-(2,5-dibromophenyl)hexan-1-amine is NCCCCCCc1cc(Br)ccc1Br.
What is the InChIKey of 6-(2,5-dibromophenyl)hexan-1-amine?
The InChIKey is UFJWVZJNRXPVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Br2N/c13-11-6-7-12(14)10(9-11)5-3-1-2-4-8-15/h6-7,9H,1-5,8,15H2.
What are the key properties of 6-(2,5-dibromophenyl)hexan-1-amine?
6-(2,5-dibromophenyl)hexan-1-amine has a molecular weight of 335.08 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dibromophenyl)hexan-1-amine is sourced from PubChem (CID 65301155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).