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

C11H15BrFN — CID 79742752

IUPAC1-(5-bromo-2-fluorophenyl)-2-methylbutan-1-amine
SMILESCCC(C)C(N)c1cc(Br)ccc1F
InChIInChI=1S/C11H15BrFN/c1-3-7(2)11(14)9-6-8(12)4-5-10(9)13/h4-7,11H,3,14H2,1-2H3
InChIKeyCOORIANUMYZREN-UHFFFAOYSA-N
MW260.15 g/mol
LogP3.63
Rot. Bonds3

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

1-(5-bromo-2-fluorophenyl)-2-methylbutan-1-amine (PubChem CID 79742752) has the molecular formula C11H15BrFN and a molecular weight of 260.15 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-2-methylbutan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-2-methylbutan-1-amine
PubChem CID79742752
Molecular FormulaC11H15BrFN
Molecular Weight260.15 g/mol
Exact Mass259.04
IUPAC Name1-(5-bromo-2-fluorophenyl)-2-methylbutan-1-amine
SMILESCCC(C)C(N)c1cc(Br)ccc1F
InChIInChI=1S/C11H15BrFN/c1-3-7(2)11(14)9-6-8(12)4-5-10(9)13/h4-7,11H,3,14H2,1-2H3
InChIKeyCOORIANUMYZREN-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

1-(5-bromo-2-fluorophenyl)-2-ethoxypropan-1-amine
CID 79743200
1-(5-bromo-2-fluorophenyl)-2-methoxybutan-1-amine
CID 116715091
(1R)-1-(2-fluoro-5-methylphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171204039
1-(2,4-dibromophenyl)-2-methylbutan-1-amine
CID 107946440
2-[(1R)-1-amino-2-methylbutyl]-4-bromophenol;hydrochloride
CID 171198644
1-(4-bromo-2-methylphenyl)-2-methylbutan-1-amine
CID 105017362
(1S)-1-(5-bromo-2-methoxyphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171221153
(1R)-1-(5-bromo-2-methoxyphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171201616
(1S)-1-(4-bromo-2-chlorophenyl)-2-methylbutan-1-amine;hydrochloride
CID 171223655
1-(4-bromo-2-fluorophenyl)-2-methylpentan-1-amine
CID 107893441
4-bromo-2-(difluoromethyl)-1-fluorobenzene
CID 2761161
4-bromo-2-(3-chloropentan-2-yl)-1-fluorobenzene
CID 82973422

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-2-methylbutan-1-amine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-2-methylbutan-1-amine (CID 79742752) is 1-(5-bromo-2-fluorophenyl)-2-methylbutan-1-amine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-2-methylbutan-1-amine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-2-methylbutan-1-amine is CCC(C)C(N)c1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-2-methylbutan-1-amine?
The InChIKey is COORIANUMYZREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFN/c1-3-7(2)11(14)9-6-8(12)4-5-10(9)13/h4-7,11H,3,14H2,1-2H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-2-methylbutan-1-amine?
1-(5-bromo-2-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-(5-bromo-2-fluorophenyl)-2-methylbutan-1-amine is sourced from PubChem (CID 79742752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).