1-(3-bromo-2-fluorophenyl)-2,2-dimethylbutan-1-amine

C12H17BrFN — CID 106647656

IUPAC1-(3-bromo-2-fluorophenyl)-2,2-dimethylbutan-1-amine
SMILESCCC(C)(C)C(N)c1cccc(Br)c1F
InChIInChI=1S/C12H17BrFN/c1-4-12(2,3)11(15)8-6-5-7-9(13)10(8)14/h5-7,11H,4,15H2,1-3H3
InChIKeyKCGIOGNDZIIYMM-UHFFFAOYSA-N
MW274.18 g/mol
LogP4.02
Rot. Bonds3

About 1-(3-bromo-2-fluorophenyl)-2,2-dimethylbutan-1-amine

1-(3-bromo-2-fluorophenyl)-2,2-dimethylbutan-1-amine (PubChem CID 106647656) has the molecular formula C12H17BrFN and a molecular weight of 274.18 g/mol. Its IUPAC name is 1-(3-bromo-2-fluorophenyl)-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-2-fluorophenyl)-2,2-dimethylbutan-1-amine
PubChem CID106647656
Molecular FormulaC12H17BrFN
Molecular Weight274.18 g/mol
Exact Mass273.05
IUPAC Name1-(3-bromo-2-fluorophenyl)-2,2-dimethylbutan-1-amine
SMILESCCC(C)(C)C(N)c1cccc(Br)c1F
InChIInChI=1S/C12H17BrFN/c1-4-12(2,3)11(15)8-6-5-7-9(13)10(8)14/h5-7,11H,4,15H2,1-3H3
InChIKeyKCGIOGNDZIIYMM-UHFFFAOYSA-N
XLogP4.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.18
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-2-fluorophenyl)-2-methoxy-2-methylbutan-1-amine
CID 106646137
1-(3-bromo-2-fluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine
CID 106645806
(1R)-1-(3-bromo-2-fluorophenyl)propan-1-amine
CID 131190372
(1R,2S)-1-amino-1-(3-bromo-2-fluorophenyl)butan-2-ol
CID 130785366
1-(3-bromo-2-fluorophenyl)butan-1-amine
CID 103692974
(3S)-3-amino-3-(3-bromo-2-fluorophenyl)-2,2-difluoropropan-1-ol;hydrochloride
CID 171247629
(1R)-1-(3-bromo-2-fluorophenyl)-2-methylbutan-1-amine
CID 130797873
(1R)-1-(3-bromo-2-fluorophenyl)-2-fluoroethanamine
CID 124707209
(1R)-1-(3-bromo-2-fluorophenyl)-3-methylbutan-1-amine
CID 130869354
(3-bromo-2-fluorophenyl)-(4-tert-butylphenyl)methanamine
CID 106648227
1-(3-bromo-2-fluorophenyl)-2-(diethylamino)-2-methylbutan-1-ol
CID 106645113
(2R)-2-amino-2-(3-bromo-2-fluorophenyl)ethanol
CID 66514745

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluorophenyl)-2,2-dimethylbutan-1-amine?
The IUPAC name of 1-(3-bromo-2-fluorophenyl)-2,2-dimethylbutan-1-amine (CID 106647656) is 1-(3-bromo-2-fluorophenyl)-2,2-dimethylbutan-1-amine.
What is the SMILES notation for 1-(3-bromo-2-fluorophenyl)-2,2-dimethylbutan-1-amine?
The canonical SMILES for 1-(3-bromo-2-fluorophenyl)-2,2-dimethylbutan-1-amine is CCC(C)(C)C(N)c1cccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2-fluorophenyl)-2,2-dimethylbutan-1-amine?
The InChIKey is KCGIOGNDZIIYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrFN/c1-4-12(2,3)11(15)8-6-5-7-9(13)10(8)14/h5-7,11H,4,15H2,1-3H3.
What are the key properties of 1-(3-bromo-2-fluorophenyl)-2,2-dimethylbutan-1-amine?
1-(3-bromo-2-fluorophenyl)-2,2-dimethylbutan-1-amine has a molecular weight of 274.18 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-fluorophenyl)-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 106647656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).