N-[2-(2,4-dibromophenoxy)ethyl]-1-methoxypropan-2-amine

C12H17Br2NO2 — CID 55093203

IUPACN-[2-(2,4-dibromophenoxy)ethyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NCCOc1ccc(Br)cc1Br
InChIInChI=1S/C12H17Br2NO2/c1-9(8-16-2)15-5-6-17-12-4-3-10(13)7-11(12)14/h3-4,7,9,15H,5-6,8H2,1-2H3
InChIKeyFRXJATDTERIBRT-UHFFFAOYSA-N
MW367.08 g/mol
LogP3.21
Rot. Bonds7

About N-[2-(2,4-dibromophenoxy)ethyl]-1-methoxypropan-2-amine

N-[2-(2,4-dibromophenoxy)ethyl]-1-methoxypropan-2-amine (PubChem CID 55093203) has the molecular formula C12H17Br2NO2 and a molecular weight of 367.08 g/mol. Its IUPAC name is N-[2-(2,4-dibromophenoxy)ethyl]-1-methoxypropan-2-amine.

Molecular Properties

Compound NameN-[2-(2,4-dibromophenoxy)ethyl]-1-methoxypropan-2-amine
PubChem CID55093203
Molecular FormulaC12H17Br2NO2
Molecular Weight367.08 g/mol
Exact Mass364.96
IUPAC NameN-[2-(2,4-dibromophenoxy)ethyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NCCOc1ccc(Br)cc1Br
InChIInChI=1S/C12H17Br2NO2/c1-9(8-16-2)15-5-6-17-12-4-3-10(13)7-11(12)14/h3-4,7,9,15H,5-6,8H2,1-2H3
InChIKeyFRXJATDTERIBRT-UHFFFAOYSA-N
XLogP3.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.08
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-bromo-2-methylphenoxy)ethyl]-1-methoxypropan-2-amine
CID 55162498
N-[2-(2,4-dibromophenoxy)ethyl]propan-2-amine
CID 62597711
N-[2-(4-bromophenoxy)ethyl]-1-methoxypropan-2-amine
CID 60688516
2-(2,4-dibromophenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 18161002
1-methoxy-N-[2-(2-methoxyphenoxy)ethyl]propan-2-amine
CID 62572002
(2R)-N-[3-(4-bromo-2-chlorophenoxy)propyl]butan-2-amine
CID 2181982
N-[3-(4-bromo-2-chlorophenoxy)propyl]butan-2-amine
CID 2934466
1-methoxy-N-[2-(2-methylphenoxy)ethyl]propan-2-amine
CID 60688548
N-[2-(2,4-dibromophenoxy)ethyl]prop-2-yn-1-amine
CID 62597194
N-[2-[(4-bromophenyl)methoxy]ethyl]-1-methoxypropan-2-amine
CID 82825096
N-[2-(5-bromo-2-fluorophenoxy)ethyl]butan-2-amine
CID 114676978
1-methoxy-N-[2-(2,4,6-trichlorophenoxy)ethyl]propan-2-amine
CID 55088685

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dibromophenoxy)ethyl]-1-methoxypropan-2-amine?
The IUPAC name of N-[2-(2,4-dibromophenoxy)ethyl]-1-methoxypropan-2-amine (CID 55093203) is N-[2-(2,4-dibromophenoxy)ethyl]-1-methoxypropan-2-amine.
What is the SMILES notation for N-[2-(2,4-dibromophenoxy)ethyl]-1-methoxypropan-2-amine?
The canonical SMILES for N-[2-(2,4-dibromophenoxy)ethyl]-1-methoxypropan-2-amine is COCC(C)NCCOc1ccc(Br)cc1Br.
What is the InChIKey of N-[2-(2,4-dibromophenoxy)ethyl]-1-methoxypropan-2-amine?
The InChIKey is FRXJATDTERIBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Br2NO2/c1-9(8-16-2)15-5-6-17-12-4-3-10(13)7-11(12)14/h3-4,7,9,15H,5-6,8H2,1-2H3.
What are the key properties of N-[2-(2,4-dibromophenoxy)ethyl]-1-methoxypropan-2-amine?
N-[2-(2,4-dibromophenoxy)ethyl]-1-methoxypropan-2-amine has a molecular weight of 367.08 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dibromophenoxy)ethyl]-1-methoxypropan-2-amine is sourced from PubChem (CID 55093203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).