1-(2,4-dibromophenyl)-N-[2-(3-methylbutoxy)ethyl]ethanamine

C15H23Br2NO — CID 55193521

IUPAC1-(2,4-dibromophenyl)-N-[2-(3-methylbutoxy)ethyl]ethanamine
SMILESCC(C)CCOCCNC(C)c1ccc(Br)cc1Br
InChIInChI=1S/C15H23Br2NO/c1-11(2)6-8-19-9-7-18-12(3)14-5-4-13(16)10-15(14)17/h4-5,10-12,18H,6-9H2,1-3H3
InChIKeyMHGPUDBEMSAGBX-UHFFFAOYSA-N
MW393.16 g/mol
LogP4.92
Rot. Bonds8

About 1-(2,4-dibromophenyl)-N-[2-(3-methylbutoxy)ethyl]ethanamine

1-(2,4-dibromophenyl)-N-[2-(3-methylbutoxy)ethyl]ethanamine (PubChem CID 55193521) has the molecular formula C15H23Br2NO and a molecular weight of 393.16 g/mol. Its IUPAC name is 1-(2,4-dibromophenyl)-N-[2-(3-methylbutoxy)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2,4-dibromophenyl)-N-[2-(3-methylbutoxy)ethyl]ethanamine
PubChem CID55193521
Molecular FormulaC15H23Br2NO
Molecular Weight393.16 g/mol
Exact Mass391.01
IUPAC Name1-(2,4-dibromophenyl)-N-[2-(3-methylbutoxy)ethyl]ethanamine
SMILESCC(C)CCOCCNC(C)c1ccc(Br)cc1Br
InChIInChI=1S/C15H23Br2NO/c1-11(2)6-8-19-9-7-18-12(3)14-5-4-13(16)10-15(14)17/h4-5,10-12,18H,6-9H2,1-3H3
InChIKeyMHGPUDBEMSAGBX-UHFFFAOYSA-N
XLogP4.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.16
LogP ≤ 54.92
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-[1-(2,4-dibromophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 60781144
N-[1-(2,4-dibromophenyl)ethyl]-3-phenoxypropan-1-amine
CID 63478861
N-[1-(2,4-dibromophenyl)ethyl]-5-methylhexan-2-amine
CID 60781473
N-[1-(4-bromo-2-fluorophenyl)ethyl]-3-methylbutan-1-amine
CID 82961496
4-bromo-2-methyl-N-[2-(3-methylbutoxy)ethyl]aniline
CID 55195414
1-(4-bromophenyl)-N-[2-(3-methylbutoxy)ethyl]propan-1-amine
CID 63477064
N-[2-(3-methylbutoxy)ethyl]-1-phenylethanamine
CID 61483773
N-[1-(2,4-dibromophenyl)ethyl]-6-methylheptan-2-amine
CID 60781481
1-(4-bromophenyl)-N-[2-(2-methylpropoxy)ethyl]ethanamine
CID 115676446
N-(cyclobutylmethyl)-1-(2,4-dibromophenyl)ethanamine
CID 60781645
N-(cyclopentylmethyl)-1-(2,4-dibromophenyl)ethanamine
CID 60781569
N-[1-(2,4-dibromophenyl)ethyl]-4-methoxybutan-2-amine
CID 64604230

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromophenyl)-N-[2-(3-methylbutoxy)ethyl]ethanamine?
The IUPAC name of 1-(2,4-dibromophenyl)-N-[2-(3-methylbutoxy)ethyl]ethanamine (CID 55193521) is 1-(2,4-dibromophenyl)-N-[2-(3-methylbutoxy)ethyl]ethanamine.
What is the SMILES notation for 1-(2,4-dibromophenyl)-N-[2-(3-methylbutoxy)ethyl]ethanamine?
The canonical SMILES for 1-(2,4-dibromophenyl)-N-[2-(3-methylbutoxy)ethyl]ethanamine is CC(C)CCOCCNC(C)c1ccc(Br)cc1Br.
What is the InChIKey of 1-(2,4-dibromophenyl)-N-[2-(3-methylbutoxy)ethyl]ethanamine?
The InChIKey is MHGPUDBEMSAGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Br2NO/c1-11(2)6-8-19-9-7-18-12(3)14-5-4-13(16)10-15(14)17/h4-5,10-12,18H,6-9H2,1-3H3.
What are the key properties of 1-(2,4-dibromophenyl)-N-[2-(3-methylbutoxy)ethyl]ethanamine?
1-(2,4-dibromophenyl)-N-[2-(3-methylbutoxy)ethyl]ethanamine has a molecular weight of 393.16 g/mol, XLogP of 4.92, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromophenyl)-N-[2-(3-methylbutoxy)ethyl]ethanamine is sourced from PubChem (CID 55193521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).