5-(4-bromo-2,5-dichlorophenoxy)pentan-1-amine

C11H14BrCl2NO — CID 107656497

IUPAC5-(4-bromo-2,5-dichlorophenoxy)pentan-1-amine
SMILESNCCCCCOc1cc(Cl)c(Br)cc1Cl
InChIInChI=1S/C11H14BrCl2NO/c12-8-6-10(14)11(7-9(8)13)16-5-3-1-2-4-15/h6-7H,1-5,15H2
InChIKeyUZCTURJATRGECM-UHFFFAOYSA-N
MW327.05 g/mol
LogP4.26
Rot. Bonds6

About 5-(4-bromo-2,5-dichlorophenoxy)pentan-1-amine

5-(4-bromo-2,5-dichlorophenoxy)pentan-1-amine (PubChem CID 107656497) has the molecular formula C11H14BrCl2NO and a molecular weight of 327.05 g/mol. Its IUPAC name is 5-(4-bromo-2,5-dichlorophenoxy)pentan-1-amine.

Molecular Properties

Compound Name5-(4-bromo-2,5-dichlorophenoxy)pentan-1-amine
PubChem CID107656497
Molecular FormulaC11H14BrCl2NO
Molecular Weight327.05 g/mol
Exact Mass324.96
IUPAC Name5-(4-bromo-2,5-dichlorophenoxy)pentan-1-amine
SMILESNCCCCCOc1cc(Cl)c(Br)cc1Cl
InChIInChI=1S/C11H14BrCl2NO/c12-8-6-10(14)11(7-9(8)13)16-5-3-1-2-4-15/h6-7H,1-5,15H2
InChIKeyUZCTURJATRGECM-UHFFFAOYSA-N
XLogP4.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.05
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-(4-bromo-2,5-dichlorophenoxy)propan-1-amine
CID 107656499
1-bromo-2,5-dichloro-4-(4-chlorobutoxy)benzene
CID 107657601
5-(4-bromo-2,5-dichlorophenoxy)-N-propan-2-ylpentan-1-amine
CID 107661011
6-(2,4-dichlorophenoxy)hexan-1-amine
CID 21467390
4-(4-bromo-2,5-dichlorophenoxy)butanoic acid
CID 22687414
2-(5-aminopentoxy)-4,5-dichlorophenol
CID 101415763
2-[2-(4-bromo-2,5-dichlorophenoxy)ethoxy]ethanethiol
CID 107662391
3-(4-bromo-2,5-dichlorophenoxy)-2-methylpropan-1-amine
CID 107659698
4-(2-chloro-4-fluorophenoxy)butan-1-amine
CID 60971169
1,4-dichloro-2,5-bis(3-chloropropoxy)benzene
CID 54022479
6-(2-bromo-4-chlorophenoxy)hexan-1-ol
CID 103801828
[3-[(4-bromo-2,5-dichlorophenoxy)methyl]phenyl]methanamine
CID 107656486

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2,5-dichlorophenoxy)pentan-1-amine?
The IUPAC name of 5-(4-bromo-2,5-dichlorophenoxy)pentan-1-amine (CID 107656497) is 5-(4-bromo-2,5-dichlorophenoxy)pentan-1-amine.
What is the SMILES notation for 5-(4-bromo-2,5-dichlorophenoxy)pentan-1-amine?
The canonical SMILES for 5-(4-bromo-2,5-dichlorophenoxy)pentan-1-amine is NCCCCCOc1cc(Cl)c(Br)cc1Cl.
What is the InChIKey of 5-(4-bromo-2,5-dichlorophenoxy)pentan-1-amine?
The InChIKey is UZCTURJATRGECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrCl2NO/c12-8-6-10(14)11(7-9(8)13)16-5-3-1-2-4-15/h6-7H,1-5,15H2.
What are the key properties of 5-(4-bromo-2,5-dichlorophenoxy)pentan-1-amine?
5-(4-bromo-2,5-dichlorophenoxy)pentan-1-amine has a molecular weight of 327.05 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2,5-dichlorophenoxy)pentan-1-amine is sourced from PubChem (CID 107656497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).