N-[1-(2,4-dibromophenyl)ethyl]-4-methoxybutan-2-amine

C13H19Br2NO — CID 64604230

IUPACN-[1-(2,4-dibromophenyl)ethyl]-4-methoxybutan-2-amine
SMILESCOCCC(C)NC(C)c1ccc(Br)cc1Br
InChIInChI=1S/C13H19Br2NO/c1-9(6-7-17-3)16-10(2)12-5-4-11(14)8-13(12)15/h4-5,8-10,16H,6-7H2,1-3H3
InChIKeyCSXMKLXRHUKZNE-UHFFFAOYSA-N
MW365.11 g/mol
LogP4.29
Rot. Bonds6

About N-[1-(2,4-dibromophenyl)ethyl]-4-methoxybutan-2-amine

N-[1-(2,4-dibromophenyl)ethyl]-4-methoxybutan-2-amine (PubChem CID 64604230) has the molecular formula C13H19Br2NO and a molecular weight of 365.11 g/mol. Its IUPAC name is N-[1-(2,4-dibromophenyl)ethyl]-4-methoxybutan-2-amine.

Molecular Properties

Compound NameN-[1-(2,4-dibromophenyl)ethyl]-4-methoxybutan-2-amine
PubChem CID64604230
Molecular FormulaC13H19Br2NO
Molecular Weight365.11 g/mol
Exact Mass362.98
IUPAC NameN-[1-(2,4-dibromophenyl)ethyl]-4-methoxybutan-2-amine
SMILESCOCCC(C)NC(C)c1ccc(Br)cc1Br
InChIInChI=1S/C13H19Br2NO/c1-9(6-7-17-3)16-10(2)12-5-4-11(14)8-13(12)15/h4-5,8-10,16H,6-7H2,1-3H3
InChIKeyCSXMKLXRHUKZNE-UHFFFAOYSA-N
XLogP4.29
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 ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,4-dibromophenyl)ethyl]-5-methylhexan-2-amine
CID 60781473
N-[1-(2,4-dibromophenyl)ethyl]-6-methylheptan-2-amine
CID 60781481
N-[1-(2,4-dibromophenyl)ethyl]butan-2-amine
CID 60781142
N-[1-(2-bromo-4-fluorophenyl)ethyl]-1-methoxypropan-2-amine
CID 115704341
4-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]butan-2-amine
CID 81375675
(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
1-(2,4-dibromophenyl)-N-[2-(3-methylbutoxy)ethyl]ethanamine
CID 55193521
1-(2,4-dibromophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine
CID 81375703
N-[1-(2,4-dibromophenyl)ethyl]-1-(2,4-dimethylphenyl)ethanamine
CID 63449322
N-[1-(2,4-dibromophenyl)ethyl]-1-phenylbutan-1-amine
CID 60781859
3-[1-(2-bromo-4-fluorophenyl)ethylamino]butan-1-ol
CID 115722179

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dibromophenyl)ethyl]-4-methoxybutan-2-amine?
The IUPAC name of N-[1-(2,4-dibromophenyl)ethyl]-4-methoxybutan-2-amine (CID 64604230) is N-[1-(2,4-dibromophenyl)ethyl]-4-methoxybutan-2-amine.
What is the SMILES notation for N-[1-(2,4-dibromophenyl)ethyl]-4-methoxybutan-2-amine?
The canonical SMILES for N-[1-(2,4-dibromophenyl)ethyl]-4-methoxybutan-2-amine is COCCC(C)NC(C)c1ccc(Br)cc1Br.
What is the InChIKey of N-[1-(2,4-dibromophenyl)ethyl]-4-methoxybutan-2-amine?
The InChIKey is CSXMKLXRHUKZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Br2NO/c1-9(6-7-17-3)16-10(2)12-5-4-11(14)8-13(12)15/h4-5,8-10,16H,6-7H2,1-3H3.
What are the key properties of N-[1-(2,4-dibromophenyl)ethyl]-4-methoxybutan-2-amine?
N-[1-(2,4-dibromophenyl)ethyl]-4-methoxybutan-2-amine has a molecular weight of 365.11 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dibromophenyl)ethyl]-4-methoxybutan-2-amine is sourced from PubChem (CID 64604230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).