5-(2,5-dibromophenyl)-N-propylpentan-1-amine

C14H21Br2N — CID 65300495

IUPAC5-(2,5-dibromophenyl)-N-propylpentan-1-amine
SMILESCCCNCCCCCc1cc(Br)ccc1Br
InChIInChI=1S/C14H21Br2N/c1-2-9-17-10-5-3-4-6-12-11-13(15)7-8-14(12)16/h7-8,11,17H,2-6,9-10H2,1H3
InChIKeyHZNVSPKACNEQAP-UHFFFAOYSA-N
MW363.14 g/mol
LogP4.92
Rot. Bonds8

About 5-(2,5-dibromophenyl)-N-propylpentan-1-amine

5-(2,5-dibromophenyl)-N-propylpentan-1-amine (PubChem CID 65300495) has the molecular formula C14H21Br2N and a molecular weight of 363.14 g/mol. Its IUPAC name is 5-(2,5-dibromophenyl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name5-(2,5-dibromophenyl)-N-propylpentan-1-amine
PubChem CID65300495
Molecular FormulaC14H21Br2N
Molecular Weight363.14 g/mol
Exact Mass361.00
IUPAC Name5-(2,5-dibromophenyl)-N-propylpentan-1-amine
SMILESCCCNCCCCCc1cc(Br)ccc1Br
InChIInChI=1S/C14H21Br2N/c1-2-9-17-10-5-3-4-6-12-11-13(15)7-8-14(12)16/h7-8,11,17H,2-6,9-10H2,1H3
InChIKeyHZNVSPKACNEQAP-UHFFFAOYSA-N
XLogP4.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.14
LogP ≤ 54.92
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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Related Compounds

4-(2,5-dibromophenyl)-N-propylbutan-1-amine
CID 65305623
6-(2,5-dibromophenyl)hexan-1-amine
CID 65301155
5-(2,5-dibromophenyl)pentan-1-amine
CID 65301153
1,4-dibromo-2-[8-[8-(2,5-dibromophenyl)octylsulfanyl]octyl]benzene
CID 141099500
6-(4-bromo-5-chloro-2-fluorophenyl)-N-propylhexan-1-amine
CID 105400378
N-[(5-bromo-2-methylphenyl)methyl]propan-1-amine
CID 65307998
N'-[(2,5-dibromophenyl)methyl]-N-methylpropane-1,3-diamine
CID 114369384
5-(5-bromo-2-ethoxyphenyl)-N-(2-methylpropyl)pentan-1-amine
CID 65305802
5-(3-bromo-4-ethoxyphenyl)-N-propylpentan-1-amine
CID 104662920
4-bromo-2-dodecylphenol
CID 25207881
4-bromo-2-hexylphenol
CID 22134514
4-bromo-3-hexylphenol
CID 15007737

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dibromophenyl)-N-propylpentan-1-amine?
The IUPAC name of 5-(2,5-dibromophenyl)-N-propylpentan-1-amine (CID 65300495) is 5-(2,5-dibromophenyl)-N-propylpentan-1-amine.
What is the SMILES notation for 5-(2,5-dibromophenyl)-N-propylpentan-1-amine?
The canonical SMILES for 5-(2,5-dibromophenyl)-N-propylpentan-1-amine is CCCNCCCCCc1cc(Br)ccc1Br.
What is the InChIKey of 5-(2,5-dibromophenyl)-N-propylpentan-1-amine?
The InChIKey is HZNVSPKACNEQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Br2N/c1-2-9-17-10-5-3-4-6-12-11-13(15)7-8-14(12)16/h7-8,11,17H,2-6,9-10H2,1H3.
What are the key properties of 5-(2,5-dibromophenyl)-N-propylpentan-1-amine?
5-(2,5-dibromophenyl)-N-propylpentan-1-amine has a molecular weight of 363.14 g/mol, XLogP of 4.92, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dibromophenyl)-N-propylpentan-1-amine is sourced from PubChem (CID 65300495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).