2-(2-bromo-6-fluorophenyl)-2,3-dimethylbutan-1-amine

C12H17BrFN — CID 117048016

IUPAC2-(2-bromo-6-fluorophenyl)-2,3-dimethylbutan-1-amine
SMILESCC(C)C(C)(CN)c1c(F)cccc1Br
InChIInChI=1S/C12H17BrFN/c1-8(2)12(3,7-15)11-9(13)5-4-6-10(11)14/h4-6,8H,7,15H2,1-3H3
InChIKeyIKOTXZJSKJBMAT-UHFFFAOYSA-N
MW274.18 g/mol
LogP3.46
Rot. Bonds3

About 2-(2-bromo-6-fluorophenyl)-2,3-dimethylbutan-1-amine

2-(2-bromo-6-fluorophenyl)-2,3-dimethylbutan-1-amine (PubChem CID 117048016) has the molecular formula C12H17BrFN and a molecular weight of 274.18 g/mol. Its IUPAC name is 2-(2-bromo-6-fluorophenyl)-2,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-(2-bromo-6-fluorophenyl)-2,3-dimethylbutan-1-amine
PubChem CID117048016
Molecular FormulaC12H17BrFN
Molecular Weight274.18 g/mol
Exact Mass273.05
IUPAC Name2-(2-bromo-6-fluorophenyl)-2,3-dimethylbutan-1-amine
SMILESCC(C)C(C)(CN)c1c(F)cccc1Br
InChIInChI=1S/C12H17BrFN/c1-8(2)12(3,7-15)11-9(13)5-4-6-10(11)14/h4-6,8H,7,15H2,1-3H3
InChIKeyIKOTXZJSKJBMAT-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,3-difluorophenyl)-2,3-dimethylbutan-1-amine
CID 117048006
2-(3-bromo-2-fluorophenyl)-2-methylbutan-1-amine
CID 117047799
(1R)-1-(2-bromo-6-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 130901944
(2R)-1-(3-bromo-2-fluorophenyl)propan-2-amine
CID 130682344
3-(3-bromo-2,6-difluorophenyl)-2-methylpentan-3-amine
CID 106941584
3-(1-amino-2,3-dimethylbutan-2-yl)aniline
CID 117048034
2-(3-bromo-2,6-difluorophenyl)-3-methylpentan-2-amine
CID 106941583
1-(2-bromo-6-fluorophenyl)-4,4-dimethylpentan-1-ol
CID 114885662
2-amino-1-(2-bromo-6-fluorophenyl)-2-methylpropan-1-ol
CID 130921663
3-(aminomethyl)-4-(2,6-difluorophenyl)-3-methylbutan-2-ol
CID 114934759
2-(2-bromo-6-fluorophenyl)ethanamine
CID 83384131
(2S)-2-amino-2-(2,6-dibromophenyl)propan-1-ol
CID 131218128

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-6-fluorophenyl)-2,3-dimethylbutan-1-amine?
The IUPAC name of 2-(2-bromo-6-fluorophenyl)-2,3-dimethylbutan-1-amine (CID 117048016) is 2-(2-bromo-6-fluorophenyl)-2,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-(2-bromo-6-fluorophenyl)-2,3-dimethylbutan-1-amine?
The canonical SMILES for 2-(2-bromo-6-fluorophenyl)-2,3-dimethylbutan-1-amine is CC(C)C(C)(CN)c1c(F)cccc1Br.
What is the InChIKey of 2-(2-bromo-6-fluorophenyl)-2,3-dimethylbutan-1-amine?
The InChIKey is IKOTXZJSKJBMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrFN/c1-8(2)12(3,7-15)11-9(13)5-4-6-10(11)14/h4-6,8H,7,15H2,1-3H3.
What are the key properties of 2-(2-bromo-6-fluorophenyl)-2,3-dimethylbutan-1-amine?
2-(2-bromo-6-fluorophenyl)-2,3-dimethylbutan-1-amine has a molecular weight of 274.18 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-6-fluorophenyl)-2,3-dimethylbutan-1-amine is sourced from PubChem (CID 117048016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).