2-(2-bromo-4,6-difluorophenyl)propan-2-amine

C9H10BrF2N — CID 164668067

IUPAC2-(2-bromo-4,6-difluorophenyl)propan-2-amine
SMILESCC(C)(N)c1c(F)cc(F)cc1Br
InChIInChI=1S/C9H10BrF2N/c1-9(2,13)8-6(10)3-5(11)4-7(8)12/h3-4H,13H2,1-2H3
InChIKeyXDJAMUBSROQHHO-UHFFFAOYSA-N
MW250.09 g/mol
LogP2.92
Rot. Bonds1

About 2-(2-bromo-4,6-difluorophenyl)propan-2-amine

2-(2-bromo-4,6-difluorophenyl)propan-2-amine (PubChem CID 164668067) has the molecular formula C9H10BrF2N and a molecular weight of 250.09 g/mol. Its IUPAC name is 2-(2-bromo-4,6-difluorophenyl)propan-2-amine.

Molecular Properties

Compound Name2-(2-bromo-4,6-difluorophenyl)propan-2-amine
PubChem CID164668067
Molecular FormulaC9H10BrF2N
Molecular Weight250.09 g/mol
Exact Mass249.00
IUPAC Name2-(2-bromo-4,6-difluorophenyl)propan-2-amine
SMILESCC(C)(N)c1c(F)cc(F)cc1Br
InChIInChI=1S/C9H10BrF2N/c1-9(2,13)8-6(10)3-5(11)4-7(8)12/h3-4H,13H2,1-2H3
InChIKeyXDJAMUBSROQHHO-UHFFFAOYSA-N
XLogP2.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.09
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-Bromophenyl)propan-2-amine
CID 23009116
Phenethylamine, o-bromo-alpha,alpha-dimethyl-, hydrochloride
CID 116476
1-(2-Bromophenyl)cyclopropanamine
CID 10921794
1-(4-Bromophenyl)cyclopropanamine
CID 18710195
cis-(1S,2R)-2-(2-bromophenyl)-1-ethylcyclopropan-1-amine;hydrochloride
CID 118730201
cis-(1S,2R)-2-(4-bromo-3-fluorophenyl)-1-ethylcyclopropan-1-amine;hydrochloride
CID 118732678
1-(2-Bromophenyl)ethan-1-amine
CID 3825290
1-(3-Bromophenyl)cyclobutan-1-amine
CID 43345659
1-(3-Bromophenyl)-2-methylpropan-2-amine
CID 23087717
2-(3,4-Difluorophenyl)propan-2-amine
CID 57685637
2-(2-Bromophenyl)propan-2-amine
CID 11195239
1-(3-Bromophenyl)cyclopropanamine
CID 11127564

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,6-difluorophenyl)propan-2-amine?
The IUPAC name of 2-(2-bromo-4,6-difluorophenyl)propan-2-amine (CID 164668067) is 2-(2-bromo-4,6-difluorophenyl)propan-2-amine.
What is the SMILES notation for 2-(2-bromo-4,6-difluorophenyl)propan-2-amine?
The canonical SMILES for 2-(2-bromo-4,6-difluorophenyl)propan-2-amine is CC(C)(N)c1c(F)cc(F)cc1Br.
What is the InChIKey of 2-(2-bromo-4,6-difluorophenyl)propan-2-amine?
The InChIKey is XDJAMUBSROQHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF2N/c1-9(2,13)8-6(10)3-5(11)4-7(8)12/h3-4H,13H2,1-2H3.
What are the key properties of 2-(2-bromo-4,6-difluorophenyl)propan-2-amine?
2-(2-bromo-4,6-difluorophenyl)propan-2-amine has a molecular weight of 250.09 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4,6-difluorophenyl)propan-2-amine is sourced from PubChem (CID 164668067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).