1-(3-bromo-2,4,6-trifluorophenyl)-2-methylpropan-2-amine

C10H11BrF3N — CID 117452947

IUPAC1-(3-bromo-2,4,6-trifluorophenyl)-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1c(F)cc(F)c(Br)c1F
InChIInChI=1S/C10H11BrF3N/c1-10(2,15)4-5-6(12)3-7(13)8(11)9(5)14/h3H,4,15H2,1-2H3
InChIKeyHSFQHKKUBOWRCQ-UHFFFAOYSA-N
MW282.10 g/mol
LogP3.15
Rot. Bonds2

About 1-(3-bromo-2,4,6-trifluorophenyl)-2-methylpropan-2-amine

1-(3-bromo-2,4,6-trifluorophenyl)-2-methylpropan-2-amine (PubChem CID 117452947) has the molecular formula C10H11BrF3N and a molecular weight of 282.10 g/mol. Its IUPAC name is 1-(3-bromo-2,4,6-trifluorophenyl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-2,4,6-trifluorophenyl)-2-methylpropan-2-amine
PubChem CID117452947
Molecular FormulaC10H11BrF3N
Molecular Weight282.10 g/mol
Exact Mass281.00
IUPAC Name1-(3-bromo-2,4,6-trifluorophenyl)-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1c(F)cc(F)c(Br)c1F
InChIInChI=1S/C10H11BrF3N/c1-10(2,15)4-5-6(12)3-7(13)8(11)9(5)14/h3H,4,15H2,1-2H3
InChIKeyHSFQHKKUBOWRCQ-UHFFFAOYSA-N
XLogP3.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.10
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromo-3,5-difluorophenyl)-2-methylpropan-2-amine
CID 84807348
4-(2-amino-2-methylpropyl)-3-bromo-5-fluorobenzene-1,2-diol
CID 117445509
2,3-dibromo-1,5-difluoro-4-(2-methylpropyl)benzene
CID 134387814
6-(2-amino-2-methylpropyl)-2-bromo-3,4-difluorophenol
CID 84811709
1-(5-bromo-2-fluorophenyl)-2-methylpropan-2-amine
CID 62622009
1,4-dibromo-3,5-difluoro-2-(fluoromethyl)benzene
CID 118836051
2-methyl-1-(2,3,6-trifluoro-5-methoxyphenyl)propan-2-amine
CID 117337721
1-(2-fluoro-3,6-dimethylphenyl)-2-methylpropan-2-amine
CID 84773717
2-[(3-bromo-2,6-difluorophenyl)methyl]-2-ethylbutan-1-amine
CID 106271309
1-(2-chloro-6-fluoro-4-methoxyphenyl)-2-methylpropan-2-amine
CID 84795134
1-(2-chloro-3-fluoro-6-methylphenyl)-2-methylpropan-2-amine
CID 117307503
1-(6-bromo-5-fluoro-1,3-benzodioxol-4-yl)-2-methylpropan-2-amine
CID 117468385

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,4,6-trifluorophenyl)-2-methylpropan-2-amine?
The IUPAC name of 1-(3-bromo-2,4,6-trifluorophenyl)-2-methylpropan-2-amine (CID 117452947) is 1-(3-bromo-2,4,6-trifluorophenyl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(3-bromo-2,4,6-trifluorophenyl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(3-bromo-2,4,6-trifluorophenyl)-2-methylpropan-2-amine is CC(C)(N)Cc1c(F)cc(F)c(Br)c1F.
What is the InChIKey of 1-(3-bromo-2,4,6-trifluorophenyl)-2-methylpropan-2-amine?
The InChIKey is HSFQHKKUBOWRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF3N/c1-10(2,15)4-5-6(12)3-7(13)8(11)9(5)14/h3H,4,15H2,1-2H3.
What are the key properties of 1-(3-bromo-2,4,6-trifluorophenyl)-2-methylpropan-2-amine?
1-(3-bromo-2,4,6-trifluorophenyl)-2-methylpropan-2-amine has a molecular weight of 282.10 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2,4,6-trifluorophenyl)-2-methylpropan-2-amine is sourced from PubChem (CID 117452947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).