3-(4-bromophenyl)-N-ethyl-3-methylbutan-1-amine

C13H20BrN — CID 79829851

IUPAC3-(4-bromophenyl)-N-ethyl-3-methylbutan-1-amine
SMILESCCNCCC(C)(C)c1ccc(Br)cc1
InChIInChI=1S/C13H20BrN/c1-4-15-10-9-13(2,3)11-5-7-12(14)8-6-11/h5-8,15H,4,9-10H2,1-3H3
InChIKeyGUWIYLYSCZGUID-UHFFFAOYSA-N
MW270.21 g/mol
LogP3.73
Rot. Bonds5

About 3-(4-bromophenyl)-N-ethyl-3-methylbutan-1-amine

3-(4-bromophenyl)-N-ethyl-3-methylbutan-1-amine (PubChem CID 79829851) has the molecular formula C13H20BrN and a molecular weight of 270.21 g/mol. Its IUPAC name is 3-(4-bromophenyl)-N-ethyl-3-methylbutan-1-amine.

Molecular Properties

Compound Name3-(4-bromophenyl)-N-ethyl-3-methylbutan-1-amine
PubChem CID79829851
Molecular FormulaC13H20BrN
Molecular Weight270.21 g/mol
Exact Mass269.08
IUPAC Name3-(4-bromophenyl)-N-ethyl-3-methylbutan-1-amine
SMILESCCNCCC(C)(C)c1ccc(Br)cc1
InChIInChI=1S/C13H20BrN/c1-4-15-10-9-13(2,3)11-5-7-12(14)8-6-11/h5-8,15H,4,9-10H2,1-3H3
InChIKeyGUWIYLYSCZGUID-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-(4-iodophenyl)-3-methylbutan-1-amine
CID 79830111
N-ethyl-3-(4-fluorophenyl)-3-methylbutan-1-amine
CID 79830560
N-ethyl-3-methyl-3-(4-propan-2-ylphenyl)butan-1-amine
CID 79830405
3-(5-bromo-2-ethoxyphenyl)-N-ethyl-3-methylbutan-1-amine
CID 79829866
N'-[2-(4-bromophenyl)-2-methylpropyl]-2,2-dimethylbutane-1,4-diamine
CID 115205088
2-(4-bromophenyl)-N-[2-(ethylamino)ethyl]-2-methylpropanamide
CID 119509414
3-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-3-methylbutan-1-amine
CID 79830298
2-[[2-(4-bromophenyl)-2-methylpropyl]amino]ethanethiol
CID 115224463
N-ethyl-3,3-dimethyl-5-[4-(2-methylbutan-2-yl)phenyl]pentan-1-amine
CID 66260373
1-bromo-4-(1-fluoro-2-methylpropan-2-yl)benzene
CID 86730298
N-ethyl-3-(5-ethylfuran-2-yl)-3-methylbutan-1-amine
CID 79830952
N-ethyl-3-methyl-3-(2,3,4-trifluorophenyl)butan-1-amine
CID 81021760

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-N-ethyl-3-methylbutan-1-amine?
The IUPAC name of 3-(4-bromophenyl)-N-ethyl-3-methylbutan-1-amine (CID 79829851) is 3-(4-bromophenyl)-N-ethyl-3-methylbutan-1-amine.
What is the SMILES notation for 3-(4-bromophenyl)-N-ethyl-3-methylbutan-1-amine?
The canonical SMILES for 3-(4-bromophenyl)-N-ethyl-3-methylbutan-1-amine is CCNCCC(C)(C)c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-N-ethyl-3-methylbutan-1-amine?
The InChIKey is GUWIYLYSCZGUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN/c1-4-15-10-9-13(2,3)11-5-7-12(14)8-6-11/h5-8,15H,4,9-10H2,1-3H3.
What are the key properties of 3-(4-bromophenyl)-N-ethyl-3-methylbutan-1-amine?
3-(4-bromophenyl)-N-ethyl-3-methylbutan-1-amine has a molecular weight of 270.21 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-N-ethyl-3-methylbutan-1-amine is sourced from PubChem (CID 79829851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).