1-(3-bromo-4-methylphenyl)-2-ethylbutan-1-amine

C13H20BrN — CID 105013875

IUPAC1-(3-bromo-4-methylphenyl)-2-ethylbutan-1-amine
SMILESCCC(CC)C(N)c1ccc(C)c(Br)c1
InChIInChI=1S/C13H20BrN/c1-4-10(5-2)13(15)11-7-6-9(3)12(14)8-11/h6-8,10,13H,4-5,15H2,1-3H3
InChIKeyHBTDMAZQIFJLLW-UHFFFAOYSA-N
MW270.21 g/mol
LogP4.19
Rot. Bonds4

About 1-(3-bromo-4-methylphenyl)-2-ethylbutan-1-amine

1-(3-bromo-4-methylphenyl)-2-ethylbutan-1-amine (PubChem CID 105013875) has the molecular formula C13H20BrN and a molecular weight of 270.21 g/mol. Its IUPAC name is 1-(3-bromo-4-methylphenyl)-2-ethylbutan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-4-methylphenyl)-2-ethylbutan-1-amine
PubChem CID105013875
Molecular FormulaC13H20BrN
Molecular Weight270.21 g/mol
Exact Mass269.08
IUPAC Name1-(3-bromo-4-methylphenyl)-2-ethylbutan-1-amine
SMILESCCC(CC)C(N)c1ccc(C)c(Br)c1
InChIInChI=1S/C13H20BrN/c1-4-10(5-2)13(15)11-7-6-9(3)12(14)8-11/h6-8,10,13H,4-5,15H2,1-3H3
InChIKeyHBTDMAZQIFJLLW-UHFFFAOYSA-N
XLogP4.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-4-methylphenyl)propane-1,2-diamine
CID 131002270
1-(3-bromo-4-methylphenyl)ethanamine
CID 70795886
(2R)-2-amino-2-(3-bromo-4-methylphenyl)ethanol
CID 66515083
(1S)-1-(3-bromo-4-methylphenyl)ethane-1,2-diamine;hydrochloride
CID 171203882
(1R)-1-(3-bromo-4-methylphenyl)-2,2-dimethylpropan-1-amine
CID 130731554
1-(3-bromo-4-methylphenyl)-2-(4-bromophenyl)ethanamine
CID 81471892
ethyl 2-amino-2-(3-bromo-4-methylphenyl)acetate
CID 105401879
(3-bromo-4-methylphenyl)-(4-bromophenyl)methanamine
CID 81472586
(1S,2S)-1-(3-bromo-4-fluorophenyl)butane-1,2-diamine
CID 130863016
(1R)-1-(3-bromo-4-methylphenyl)butane-1,4-diamine
CID 171203884
2-amino-1-(3-bromo-4-methylphenyl)ethanol
CID 82474259
1-(3-bromo-4-methylphenyl)-2-(4-chlorophenyl)ethanamine
CID 81472195

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methylphenyl)-2-ethylbutan-1-amine?
The IUPAC name of 1-(3-bromo-4-methylphenyl)-2-ethylbutan-1-amine (CID 105013875) is 1-(3-bromo-4-methylphenyl)-2-ethylbutan-1-amine.
What is the SMILES notation for 1-(3-bromo-4-methylphenyl)-2-ethylbutan-1-amine?
The canonical SMILES for 1-(3-bromo-4-methylphenyl)-2-ethylbutan-1-amine is CCC(CC)C(N)c1ccc(C)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-methylphenyl)-2-ethylbutan-1-amine?
The InChIKey is HBTDMAZQIFJLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN/c1-4-10(5-2)13(15)11-7-6-9(3)12(14)8-11/h6-8,10,13H,4-5,15H2,1-3H3.
What are the key properties of 1-(3-bromo-4-methylphenyl)-2-ethylbutan-1-amine?
1-(3-bromo-4-methylphenyl)-2-ethylbutan-1-amine has a molecular weight of 270.21 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methylphenyl)-2-ethylbutan-1-amine is sourced from PubChem (CID 105013875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).