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

C11H15BrFN — CID 130797873

IUPAC(1R)-1-(3-bromo-2-fluorophenyl)-2-methylbutan-1-amine
SMILESCCC(C)[C@@H](N)c1cccc(Br)c1F
InChIInChI=1S/C11H15BrFN/c1-3-7(2)11(14)8-5-4-6-9(12)10(8)13/h4-7,11H,3,14H2,1-2H3/t7?,11-/m1/s1
InChIKeyVSACLFQWERCFGY-PLNQYNMKSA-N
MW260.15 g/mol
LogP3.63
Rot. Bonds3

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

(1R)-1-(3-bromo-2-fluorophenyl)-2-methylbutan-1-amine (PubChem CID 130797873) has the molecular formula C11H15BrFN and a molecular weight of 260.15 g/mol. Its IUPAC name is (1R)-1-(3-bromo-2-fluorophenyl)-2-methylbutan-1-amine.

Molecular Properties

Compound Name(1R)-1-(3-bromo-2-fluorophenyl)-2-methylbutan-1-amine
PubChem CID130797873
Molecular FormulaC11H15BrFN
Molecular Weight260.15 g/mol
Exact Mass259.04
IUPAC Name(1R)-1-(3-bromo-2-fluorophenyl)-2-methylbutan-1-amine
SMILESCCC(C)[C@@H](N)c1cccc(Br)c1F
InChIInChI=1S/C11H15BrFN/c1-3-7(2)11(14)8-5-4-6-9(12)10(8)13/h4-7,11H,3,14H2,1-2H3/t7?,11-/m1/s1
InChIKeyVSACLFQWERCFGY-PLNQYNMKSA-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-2-fluorophenyl)butan-2-ol
CID 130785366
(1R)-1-(3-bromo-2-fluorophenyl)propan-1-amine
CID 131190372
(1S)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylbutan-1-amine
CID 171227402
1-(4-bromo-3-chloro-2-fluorophenyl)-2-methylbutan-1-amine
CID 106762503
1-(3-bromo-2-fluorophenyl)butan-1-amine
CID 103692974
(1R)-1-(3-bromo-2-fluorophenyl)-3-methylbutan-1-amine
CID 130869354
1-(2-bromo-3-methylphenyl)-2-methylbutan-1-amine
CID 107985251
1-(3-bromo-2-fluorophenyl)-2,2-dimethylbutan-1-amine
CID 106647656
(1R)-1-(3-bromo-2-fluorophenyl)-2-fluoroethanamine
CID 124707209
1-(3-bromo-2-fluorophenyl)-4-methoxypentan-1-amine
CID 106647954
ethyl 2-(3-bromo-2-fluorophenyl)butanoate
CID 106646487
(1S)-1-[3-fluoro-2-(trifluoromethyl)phenyl]-2-methylbutan-1-amine
CID 171231048

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-bromo-2-fluorophenyl)-2-methylbutan-1-amine?
The IUPAC name of (1R)-1-(3-bromo-2-fluorophenyl)-2-methylbutan-1-amine (CID 130797873) is (1R)-1-(3-bromo-2-fluorophenyl)-2-methylbutan-1-amine.
What is the SMILES notation for (1R)-1-(3-bromo-2-fluorophenyl)-2-methylbutan-1-amine?
The canonical SMILES for (1R)-1-(3-bromo-2-fluorophenyl)-2-methylbutan-1-amine is CCC(C)[C@@H](N)c1cccc(Br)c1F.
What is the InChIKey of (1R)-1-(3-bromo-2-fluorophenyl)-2-methylbutan-1-amine?
The InChIKey is VSACLFQWERCFGY-PLNQYNMKSA-N. The full InChI is InChI=1S/C11H15BrFN/c1-3-7(2)11(14)8-5-4-6-9(12)10(8)13/h4-7,11H,3,14H2,1-2H3/t7?,11-/m1/s1.
What are the key properties of (1R)-1-(3-bromo-2-fluorophenyl)-2-methylbutan-1-amine?
(1R)-1-(3-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 (1R)-1-(3-bromo-2-fluorophenyl)-2-methylbutan-1-amine is sourced from PubChem (CID 130797873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).