1-(2,4-dibromophenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine

C12H17Br2NO — CID 82720321

IUPAC1-(2,4-dibromophenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
SMILESCC(NOC(C)(C)C)c1ccc(Br)cc1Br
InChIInChI=1S/C12H17Br2NO/c1-8(15-16-12(2,3)4)10-6-5-9(13)7-11(10)14/h5-8,15H,1-4H3
InChIKeyZQLLMKXNTADJMO-UHFFFAOYSA-N
MW351.08 g/mol
LogP4.59
Rot. Bonds3

About 1-(2,4-dibromophenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine

1-(2,4-dibromophenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine (PubChem CID 82720321) has the molecular formula C12H17Br2NO and a molecular weight of 351.08 g/mol. Its IUPAC name is 1-(2,4-dibromophenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine.

Molecular Properties

Compound Name1-(2,4-dibromophenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
PubChem CID82720321
Molecular FormulaC12H17Br2NO
Molecular Weight351.08 g/mol
Exact Mass348.97
IUPAC Name1-(2,4-dibromophenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
SMILESCC(NOC(C)(C)C)c1ccc(Br)cc1Br
InChIInChI=1S/C12H17Br2NO/c1-8(15-16-12(2,3)4)10-6-5-9(13)7-11(10)14/h5-8,15H,1-4H3
InChIKeyZQLLMKXNTADJMO-UHFFFAOYSA-N
XLogP4.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.08
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromo-2-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
CID 82774226
2,4,6-tribromo-N-[1-(2,4-dibromophenyl)ethyl]aniline
CID 63425379
1-(2,4-dimethoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
CID 82720480
1-(2,4-dibromophenyl)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 22483194
N-[1-(2,4-dibromophenyl)ethyl]-2-methylcyclopropan-1-amine
CID 62398713
(2S)-2-[1-(2,4-dibromophenyl)ethylamino]-3-methylbutan-1-ol
CID 79250446
tert-butyl N-[2-[1-(2,4-dibromophenyl)ethylamino]propyl]carbamate
CID 107248228
N-[1-(2,4-dibromophenyl)ethyl]butan-2-amine
CID 60781142
5-fluoro-2-[1-[(2-methylpropan-2-yl)oxyamino]ethyl]phenol
CID 82719895
3-[[(1R)-1-(2,4-dibromophenyl)ethyl]amino]-2,2-dimethylpropanamide
CID 97258604
2-[1-(2,4-dibromophenyl)ethylamino]-3-methylbutanamide
CID 106344290
N-(cyclopentylmethyl)-1-(2,4-dibromophenyl)ethanamine
CID 60781569

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromophenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine?
The IUPAC name of 1-(2,4-dibromophenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine (CID 82720321) is 1-(2,4-dibromophenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine.
What is the SMILES notation for 1-(2,4-dibromophenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine?
The canonical SMILES for 1-(2,4-dibromophenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine is CC(NOC(C)(C)C)c1ccc(Br)cc1Br.
What is the InChIKey of 1-(2,4-dibromophenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine?
The InChIKey is ZQLLMKXNTADJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Br2NO/c1-8(15-16-12(2,3)4)10-6-5-9(13)7-11(10)14/h5-8,15H,1-4H3.
What are the key properties of 1-(2,4-dibromophenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine?
1-(2,4-dibromophenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine has a molecular weight of 351.08 g/mol, XLogP of 4.59, 3 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-methylpropan-2-yl)oxy]ethanamine is sourced from PubChem (CID 82720321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).