1-(2-bromo-4-fluorophenyl)-2-methylpropan-2-amine

C10H13BrFN — CID 62622386

IUPAC1-(2-bromo-4-fluorophenyl)-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1ccc(F)cc1Br
InChIInChI=1S/C10H13BrFN/c1-10(2,13)6-7-3-4-8(12)5-9(7)11/h3-5H,6,13H2,1-2H3
InChIKeyDCQDJSZMVRJJRL-UHFFFAOYSA-N
MW246.12 g/mol
LogP2.87
Rot. Bonds2

About 1-(2-bromo-4-fluorophenyl)-2-methylpropan-2-amine

1-(2-bromo-4-fluorophenyl)-2-methylpropan-2-amine (PubChem CID 62622386) has the molecular formula C10H13BrFN and a molecular weight of 246.12 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-2-methylpropan-2-amine
PubChem CID62622386
Molecular FormulaC10H13BrFN
Molecular Weight246.12 g/mol
Exact Mass245.02
IUPAC Name1-(2-bromo-4-fluorophenyl)-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1ccc(F)cc1Br
InChIInChI=1S/C10H13BrFN/c1-10(2,13)6-7-3-4-8(12)5-9(7)11/h3-5H,6,13H2,1-2H3
InChIKeyDCQDJSZMVRJJRL-UHFFFAOYSA-N
XLogP2.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.12
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Bromophenethylamine
CID 2734091
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2-(4-Bromophenyl)propan-2-amine
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Phenethylamine, p-bromo-alpha,alpha-dimethyl-, hydrochloride
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Phenethylamine, o-bromo-alpha,alpha-dimethyl-, hydrochloride
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2-Bromomethamphetamine
CID 107262
1-(2-Bromophenyl)cyclopropanamine
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1-(2-Bromophenyl)propan-2-amine
CID 22026326
1-(4-Bromo-2,5-difluorophenyl)-2-aminopropane
CID 44567544
cis-(1S,2R)-2-(2-bromophenyl)-1-ethylcyclopropan-1-amine;hydrochloride
CID 118730201
cis-(1S,2R)-2-(4-bromophenyl)-1-ethylcyclopropan-1-amine;hydrochloride
CID 118730217
cis-(1S,2R)-2-(3-bromophenyl)-1-ethylcyclopropan-1-amine;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-2-methylpropan-2-amine?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-2-methylpropan-2-amine (CID 62622386) is 1-(2-bromo-4-fluorophenyl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-2-methylpropan-2-amine is CC(C)(N)Cc1ccc(F)cc1Br.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-2-methylpropan-2-amine?
The InChIKey is DCQDJSZMVRJJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFN/c1-10(2,13)6-7-3-4-8(12)5-9(7)11/h3-5H,6,13H2,1-2H3.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-2-methylpropan-2-amine?
1-(2-bromo-4-fluorophenyl)-2-methylpropan-2-amine has a molecular weight of 246.12 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)-2-methylpropan-2-amine is sourced from PubChem (CID 62622386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).