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

C11H15BrFN — CID 130869354

IUPAC(1R)-1-(3-bromo-2-fluorophenyl)-3-methylbutan-1-amine
SMILESCC(C)C[C@@H](N)c1cccc(Br)c1F
InChIInChI=1S/C11H15BrFN/c1-7(2)6-10(14)8-4-3-5-9(12)11(8)13/h3-5,7,10H,6,14H2,1-2H3/t10-/m1/s1
InChIKeyPVOMGXIULUIYPZ-SNVBAGLBSA-N
MW260.15 g/mol
LogP3.63
Rot. Bonds3

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

(1R)-1-(3-bromo-2-fluorophenyl)-3-methylbutan-1-amine (PubChem CID 130869354) has the molecular formula C11H15BrFN and a molecular weight of 260.15 g/mol. Its IUPAC name is (1R)-1-(3-bromo-2-fluorophenyl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name(1R)-1-(3-bromo-2-fluorophenyl)-3-methylbutan-1-amine
PubChem CID130869354
Molecular FormulaC11H15BrFN
Molecular Weight260.15 g/mol
Exact Mass259.04
IUPAC Name(1R)-1-(3-bromo-2-fluorophenyl)-3-methylbutan-1-amine
SMILESCC(C)C[C@@H](N)c1cccc(Br)c1F
InChIInChI=1S/C11H15BrFN/c1-7(2)6-10(14)8-4-3-5-9(12)11(8)13/h3-5,7,10H,6,14H2,1-2H3/t10-/m1/s1
InChIKeyPVOMGXIULUIYPZ-SNVBAGLBSA-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)-1-(3-bromo-2-fluorophenyl)propan-1-amine
CID 131190372
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CID 124707209
1-(3-bromo-2-chlorophenyl)-3-methylbutan-1-amine
CID 115782025
1-(3-bromo-2-fluorophenyl)butan-1-amine
CID 103692974
(2R)-2-amino-2-(3-bromo-2-fluorophenyl)ethanol
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(1S)-1-(2-chloro-3-fluorophenyl)-3-methylbutan-1-amine
CID 131303986
1-(3-bromo-2-fluorophenyl)-3-methylbut-3-en-1-amine
CID 107953308
1-(3-bromo-2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 106645991
(1R)-1-(3-bromo-2-fluorophenyl)-2-methylbutan-1-amine
CID 130797873
1-(3-bromo-2-fluorophenyl)-2-(2,6-difluorophenyl)ethanamine
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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-bromo-2-fluorophenyl)-3-methylbutan-1-amine?
The IUPAC name of (1R)-1-(3-bromo-2-fluorophenyl)-3-methylbutan-1-amine (CID 130869354) is (1R)-1-(3-bromo-2-fluorophenyl)-3-methylbutan-1-amine.
What is the SMILES notation for (1R)-1-(3-bromo-2-fluorophenyl)-3-methylbutan-1-amine?
The canonical SMILES for (1R)-1-(3-bromo-2-fluorophenyl)-3-methylbutan-1-amine is CC(C)C[C@@H](N)c1cccc(Br)c1F.
What is the InChIKey of (1R)-1-(3-bromo-2-fluorophenyl)-3-methylbutan-1-amine?
The InChIKey is PVOMGXIULUIYPZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H15BrFN/c1-7(2)6-10(14)8-4-3-5-9(12)11(8)13/h3-5,7,10H,6,14H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-(3-bromo-2-fluorophenyl)-3-methylbutan-1-amine?
(1R)-1-(3-bromo-2-fluorophenyl)-3-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)-3-methylbutan-1-amine is sourced from PubChem (CID 130869354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).