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

C11H15BrFN — CID 117047799

IUPAC2-(3-bromo-2-fluorophenyl)-2-methylbutan-1-amine
SMILESCCC(C)(CN)c1cccc(Br)c1F
InChIInChI=1S/C11H15BrFN/c1-3-11(2,7-14)8-5-4-6-9(12)10(8)13/h4-6H,3,7,14H2,1-2H3
InChIKeyDPFTZZKITJHEPD-UHFFFAOYSA-N
MW260.15 g/mol
LogP3.21
Rot. Bonds3

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

2-(3-bromo-2-fluorophenyl)-2-methylbutan-1-amine (PubChem CID 117047799) has the molecular formula C11H15BrFN and a molecular weight of 260.15 g/mol. Its IUPAC name is 2-(3-bromo-2-fluorophenyl)-2-methylbutan-1-amine.

Molecular Properties

Compound Name2-(3-bromo-2-fluorophenyl)-2-methylbutan-1-amine
PubChem CID117047799
Molecular FormulaC11H15BrFN
Molecular Weight260.15 g/mol
Exact Mass259.04
IUPAC Name2-(3-bromo-2-fluorophenyl)-2-methylbutan-1-amine
SMILESCCC(C)(CN)c1cccc(Br)c1F
InChIInChI=1S/C11H15BrFN/c1-3-11(2,7-14)8-5-4-6-9(12)10(8)13/h4-6H,3,7,14H2,1-2H3
InChIKeyDPFTZZKITJHEPD-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromo-2-fluorophenyl)-3-(furan-2-yl)-2-methylpropan-1-amine
CID 117048660
1-(3-bromo-2-fluorophenyl)-1-(2-fluorophenyl)propan-1-amine
CID 106644707
2-(3-bromo-2-fluorophenyl)pentan-2-ol
CID 106644500
2-(3-bromo-2-fluorophenyl)-1-methoxybutan-2-amine
CID 106644681
1-(3-bromo-2-fluorophenyl)-1-phenylbutan-1-amine
CID 106644665
1-(3-bromo-2-fluorophenyl)-2,2-dimethylbutan-1-amine
CID 106647656
2-(2-bromo-6-fluorophenyl)-2,3-dimethylbutan-1-amine
CID 117048016
2-(2,3-difluorophenyl)butan-2-amine
CID 63988805
2-(2,3-difluorophenyl)-2,3-dimethylbutan-1-amine
CID 117048006
2-(2-chloro-5-fluorophenyl)-2-methylbutan-1-amine
CID 83835796
2-(2-fluoro-3-methylphenyl)-2-methylpropan-1-amine
CID 83696433
1-(3-bromo-2-fluorophenyl)-2-methoxy-2-methylbutan-1-amine
CID 106646137

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-fluorophenyl)-2-methylbutan-1-amine?
The IUPAC name of 2-(3-bromo-2-fluorophenyl)-2-methylbutan-1-amine (CID 117047799) is 2-(3-bromo-2-fluorophenyl)-2-methylbutan-1-amine.
What is the SMILES notation for 2-(3-bromo-2-fluorophenyl)-2-methylbutan-1-amine?
The canonical SMILES for 2-(3-bromo-2-fluorophenyl)-2-methylbutan-1-amine is CCC(C)(CN)c1cccc(Br)c1F.
What is the InChIKey of 2-(3-bromo-2-fluorophenyl)-2-methylbutan-1-amine?
The InChIKey is DPFTZZKITJHEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFN/c1-3-11(2,7-14)8-5-4-6-9(12)10(8)13/h4-6H,3,7,14H2,1-2H3.
What are the key properties of 2-(3-bromo-2-fluorophenyl)-2-methylbutan-1-amine?
2-(3-bromo-2-fluorophenyl)-2-methylbutan-1-amine has a molecular weight of 260.15 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-fluorophenyl)-2-methylbutan-1-amine is sourced from PubChem (CID 117047799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).