N-[2-(2,6-dibromophenoxy)ethyl]-2-methylbutan-2-amine

C13H19Br2NO — CID 62598982

IUPACN-[2-(2,6-dibromophenoxy)ethyl]-2-methylbutan-2-amine
SMILESCCC(C)(C)NCCOc1c(Br)cccc1Br
InChIInChI=1S/C13H19Br2NO/c1-4-13(2,3)16-8-9-17-12-10(14)6-5-7-11(12)15/h5-7,16H,4,8-9H2,1-3H3
InChIKeyUAYMJGNSKIQGNP-UHFFFAOYSA-N
MW365.11 g/mol
LogP4.37
Rot. Bonds6

About N-[2-(2,6-dibromophenoxy)ethyl]-2-methylbutan-2-amine

N-[2-(2,6-dibromophenoxy)ethyl]-2-methylbutan-2-amine (PubChem CID 62598982) has the molecular formula C13H19Br2NO and a molecular weight of 365.11 g/mol. Its IUPAC name is N-[2-(2,6-dibromophenoxy)ethyl]-2-methylbutan-2-amine.

Molecular Properties

Compound NameN-[2-(2,6-dibromophenoxy)ethyl]-2-methylbutan-2-amine
PubChem CID62598982
Molecular FormulaC13H19Br2NO
Molecular Weight365.11 g/mol
Exact Mass362.98
IUPAC NameN-[2-(2,6-dibromophenoxy)ethyl]-2-methylbutan-2-amine
SMILESCCC(C)(C)NCCOc1c(Br)cccc1Br
InChIInChI=1S/C13H19Br2NO/c1-4-13(2,3)16-8-9-17-12-10(14)6-5-7-11(12)15/h5-7,16H,4,8-9H2,1-3H3
InChIKeyUAYMJGNSKIQGNP-UHFFFAOYSA-N
XLogP4.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.11
LogP ≤ 54.37
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-(2,6-dibromophenoxy)ethyl]-2-methylpropan-2-amine
CID 61385418
N-[2-(2-bromo-4-methylphenoxy)ethyl]-2-methylbutan-2-amine
CID 55092828
N-[2-(2-ethoxyphenoxy)ethyl]-2-methylbutan-2-amine
CID 55088165
1,3-dibromo-2-hexoxybenzene
CID 101293505
N-[2-(2-bromo-4-chloro-5-fluorophenoxy)ethyl]-2-methylbutan-2-amine
CID 114042841
3-(2,6-dibromophenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 62599508
2-methyl-N-[2-(2,4,6-tribromophenoxy)ethyl]propan-2-amine
CID 63501413
2-methyl-N-[2-(2-methylsulfanylphenoxy)ethyl]butan-2-amine
CID 63649567
2-methyl-N-[2-(2-propan-2-ylphenoxy)ethyl]butan-2-amine
CID 54853093
N-[2-(3-fluoro-4-methylphenoxy)ethyl]-2-methylbutan-2-amine
CID 107170931
N-[2-(2,6-dibromophenoxy)ethyl]-5-methylhexan-2-amine
CID 63505607
N-[2-(2,6-dibromophenoxy)ethyl]cyclopentanamine
CID 62599325

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dibromophenoxy)ethyl]-2-methylbutan-2-amine?
The IUPAC name of N-[2-(2,6-dibromophenoxy)ethyl]-2-methylbutan-2-amine (CID 62598982) is N-[2-(2,6-dibromophenoxy)ethyl]-2-methylbutan-2-amine.
What is the SMILES notation for N-[2-(2,6-dibromophenoxy)ethyl]-2-methylbutan-2-amine?
The canonical SMILES for N-[2-(2,6-dibromophenoxy)ethyl]-2-methylbutan-2-amine is CCC(C)(C)NCCOc1c(Br)cccc1Br.
What is the InChIKey of N-[2-(2,6-dibromophenoxy)ethyl]-2-methylbutan-2-amine?
The InChIKey is UAYMJGNSKIQGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Br2NO/c1-4-13(2,3)16-8-9-17-12-10(14)6-5-7-11(12)15/h5-7,16H,4,8-9H2,1-3H3.
What are the key properties of N-[2-(2,6-dibromophenoxy)ethyl]-2-methylbutan-2-amine?
N-[2-(2,6-dibromophenoxy)ethyl]-2-methylbutan-2-amine has a molecular weight of 365.11 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dibromophenoxy)ethyl]-2-methylbutan-2-amine is sourced from PubChem (CID 62598982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).