N-[2-(2,4-dibromophenoxy)ethyl]propan-2-amine

C11H15Br2NO — CID 62597711

IUPACN-[2-(2,4-dibromophenoxy)ethyl]propan-2-amine
SMILESCC(C)NCCOc1ccc(Br)cc1Br
InChIInChI=1S/C11H15Br2NO/c1-8(2)14-5-6-15-11-4-3-9(12)7-10(11)13/h3-4,7-8,14H,5-6H2,1-2H3
InChIKeyAIPJJGAQMUEJEU-UHFFFAOYSA-N
MW337.06 g/mol
LogP3.59
Rot. Bonds5

About N-[2-(2,4-dibromophenoxy)ethyl]propan-2-amine

N-[2-(2,4-dibromophenoxy)ethyl]propan-2-amine (PubChem CID 62597711) has the molecular formula C11H15Br2NO and a molecular weight of 337.06 g/mol. Its IUPAC name is N-[2-(2,4-dibromophenoxy)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(2,4-dibromophenoxy)ethyl]propan-2-amine
PubChem CID62597711
Molecular FormulaC11H15Br2NO
Molecular Weight337.06 g/mol
Exact Mass334.95
IUPAC NameN-[2-(2,4-dibromophenoxy)ethyl]propan-2-amine
SMILESCC(C)NCCOc1ccc(Br)cc1Br
InChIInChI=1S/C11H15Br2NO/c1-8(2)14-5-6-15-11-4-3-9(12)7-10(11)13/h3-4,7-8,14H,5-6H2,1-2H3
InChIKeyAIPJJGAQMUEJEU-UHFFFAOYSA-N
XLogP3.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.06
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,4-dibromophenoxy)ethyl]-1-methoxypropan-2-amine
CID 55093203
3-(4-bromo-2-methylphenoxy)-N-propan-2-ylpropan-1-amine
CID 63217089
N-[2-(2,4-dibromophenoxy)ethyl]prop-2-yn-1-amine
CID 62597194
N-[2-(6-bromonaphthalen-2-yl)oxyethyl]propan-2-amine;hydrochloride
CID 54595906
5-(4-bromo-2-propan-2-ylphenoxy)-N-propan-2-ylpentan-1-amine
CID 115402776
N-[2-(2,4-dibromophenoxy)ethyl]-2,2,2-trifluoroethanamine
CID 62597022
1,4-dibromo-2-[2-(2,4-dibromophenoxy)ethoxy]benzene
CID 59907339
N-[2-[(5-bromo-2-methoxyphenyl)methoxy]ethyl]propan-2-amine
CID 62342039
N-[2-(4-bromo-2-methylphenoxy)ethyl]-1-methoxypropan-2-amine
CID 55162498
2,4-dibromo-1-heptoxybenzene
CID 101293515
2,4-dibromo-1-octoxybenzene
CID 101293529
4-[3-bromo-4-(2-methoxyethoxy)phenyl]-N-propan-2-ylbutan-1-amine
CID 104662999

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dibromophenoxy)ethyl]propan-2-amine?
The IUPAC name of N-[2-(2,4-dibromophenoxy)ethyl]propan-2-amine (CID 62597711) is N-[2-(2,4-dibromophenoxy)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(2,4-dibromophenoxy)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(2,4-dibromophenoxy)ethyl]propan-2-amine is CC(C)NCCOc1ccc(Br)cc1Br.
What is the InChIKey of N-[2-(2,4-dibromophenoxy)ethyl]propan-2-amine?
The InChIKey is AIPJJGAQMUEJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br2NO/c1-8(2)14-5-6-15-11-4-3-9(12)7-10(11)13/h3-4,7-8,14H,5-6H2,1-2H3.
What are the key properties of N-[2-(2,4-dibromophenoxy)ethyl]propan-2-amine?
N-[2-(2,4-dibromophenoxy)ethyl]propan-2-amine has a molecular weight of 337.06 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dibromophenoxy)ethyl]propan-2-amine is sourced from PubChem (CID 62597711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).