1-(3-bromo-5-fluorophenyl)-2-methylbutan-1-amine

C11H15BrFN — CID 79446725

IUPAC1-(3-bromo-5-fluorophenyl)-2-methylbutan-1-amine
SMILESCCC(C)C(N)c1cc(F)cc(Br)c1
InChIInChI=1S/C11H15BrFN/c1-3-7(2)11(14)8-4-9(12)6-10(13)5-8/h4-7,11H,3,14H2,1-2H3
InChIKeyZXFWIHYNYAXULQ-UHFFFAOYSA-N
MW260.15 g/mol
LogP3.63
Rot. Bonds3

About 1-(3-bromo-5-fluorophenyl)-2-methylbutan-1-amine

1-(3-bromo-5-fluorophenyl)-2-methylbutan-1-amine (PubChem CID 79446725) has the molecular formula C11H15BrFN and a molecular weight of 260.15 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenyl)-2-methylbutan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenyl)-2-methylbutan-1-amine
PubChem CID79446725
Molecular FormulaC11H15BrFN
Molecular Weight260.15 g/mol
Exact Mass259.04
IUPAC Name1-(3-bromo-5-fluorophenyl)-2-methylbutan-1-amine
SMILESCCC(C)C(N)c1cc(F)cc(Br)c1
InChIInChI=1S/C11H15BrFN/c1-3-7(2)11(14)8-4-9(12)6-10(13)5-8/h4-7,11H,3,14H2,1-2H3
InChIKeyZXFWIHYNYAXULQ-UHFFFAOYSA-N
XLogP3.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.15
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,2S)-1-amino-1-(3-bromo-5-fluorophenyl)propan-2-ol
CID 130982390
1-bromo-3-butan-2-yl-5-fluorobenzene
CID 130384481
(1S)-1-(3-bromo-5-fluorophenyl)-4-methylpentan-1-amine;hydrochloride
CID 171223533
(1S)-1-(4-bromo-3-fluorophenyl)-2-methylbutan-1-amine;hydrochloride
CID 171221336
(1R)-1-(4-bromophenyl)-2-methylbutan-1-amine
CID 131011695
(1R)-1-(4-fluorophenyl)-2-methylbutan-1-amine
CID 131025596
(1R)-1-(3-bromo-5-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 130039777
1-(3-bromo-5-fluorophenyl)octan-1-amine
CID 66423474
(2S)-2-(3-bromo-5-fluorophenyl)propan-1-ol
CID 118056013
(2R)-2-amino-2-(3-bromo-5-fluorophenyl)ethanol
CID 66514747
1-(4-fluoro-2,6-dimethylphenyl)-2-methylbutan-1-amine
CID 106877205
(3-bromo-5-fluorophenyl)-(4-ethoxyphenyl)methanamine
CID 43248327

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluorophenyl)-2-methylbutan-1-amine?
The IUPAC name of 1-(3-bromo-5-fluorophenyl)-2-methylbutan-1-amine (CID 79446725) is 1-(3-bromo-5-fluorophenyl)-2-methylbutan-1-amine.
What is the SMILES notation for 1-(3-bromo-5-fluorophenyl)-2-methylbutan-1-amine?
The canonical SMILES for 1-(3-bromo-5-fluorophenyl)-2-methylbutan-1-amine is CCC(C)C(N)c1cc(F)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-fluorophenyl)-2-methylbutan-1-amine?
The InChIKey is ZXFWIHYNYAXULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFN/c1-3-7(2)11(14)8-4-9(12)6-10(13)5-8/h4-7,11H,3,14H2,1-2H3.
What are the key properties of 1-(3-bromo-5-fluorophenyl)-2-methylbutan-1-amine?
1-(3-bromo-5-fluorophenyl)-2-methylbutan-1-amine has a molecular weight of 260.15 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-fluorophenyl)-2-methylbutan-1-amine is sourced from PubChem (CID 79446725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).