2-(4-bromo-2,3-difluorophenyl)propan-2-amine

C9H10BrF2N — CID 117378217

IUPAC2-(4-bromo-2,3-difluorophenyl)propan-2-amine
SMILESCC(C)(N)c1ccc(Br)c(F)c1F
InChIInChI=1S/C9H10BrF2N/c1-9(2,13)5-3-4-6(10)8(12)7(5)11/h3-4H,13H2,1-2H3
InChIKeyKSDPVVCBPLKXNJ-UHFFFAOYSA-N
MW250.09 g/mol
LogP2.92
Rot. Bonds1

About 2-(4-bromo-2,3-difluorophenyl)propan-2-amine

2-(4-bromo-2,3-difluorophenyl)propan-2-amine (PubChem CID 117378217) has the molecular formula C9H10BrF2N and a molecular weight of 250.09 g/mol. Its IUPAC name is 2-(4-bromo-2,3-difluorophenyl)propan-2-amine.

Molecular Properties

Compound Name2-(4-bromo-2,3-difluorophenyl)propan-2-amine
PubChem CID117378217
Molecular FormulaC9H10BrF2N
Molecular Weight250.09 g/mol
Exact Mass249.00
IUPAC Name2-(4-bromo-2,3-difluorophenyl)propan-2-amine
SMILESCC(C)(N)c1ccc(Br)c(F)c1F
InChIInChI=1S/C9H10BrF2N/c1-9(2,13)5-3-4-6(10)8(12)7(5)11/h3-4H,13H2,1-2H3
InChIKeyKSDPVVCBPLKXNJ-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

Computed Properties (RDKit)

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

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Related Compounds

1-(4-Bromophenyl)ethylamine
CID 91175
2-(4-Bromophenyl)propan-2-amine
CID 23009116
Phenethylamine, p-bromo-alpha,alpha-dimethyl-, hydrochloride
CID 73838
(R)-4-bromo-alpha-methylbenzylamine
CID 853000
(alphaS)-4-Bromo-alpha-methylbenzenemethanamine
CID 852999
1-(2-Bromophenyl)cyclopropanamine
CID 10921794
1-(4-Bromo-2,5-difluorophenyl)-2-aminopropane
CID 44567544
cis-(1S,2R)-2-(4-bromophenyl)-1-ethylcyclopropan-1-amine;hydrochloride
CID 118730217
trans-(1S,2R)-2-(4-bromophenyl)-1-phenylcyclopropan-1-amine;hydrochloride
CID 118732672
cis-(1S,2R)-2-(4-bromo-3-fluorophenyl)-1-ethylcyclopropan-1-amine;hydrochloride
CID 118732678
trans-(1S,2R)-2-(4-bromo-2,3-difluorophenyl)cyclopropan-1-amine
CID 168278131
cis-(1R,2R)-2-(4-bromo-2,3-difluorophenyl)cyclopropan-1-amine
CID 168294610

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,3-difluorophenyl)propan-2-amine?
The IUPAC name of 2-(4-bromo-2,3-difluorophenyl)propan-2-amine (CID 117378217) is 2-(4-bromo-2,3-difluorophenyl)propan-2-amine.
What is the SMILES notation for 2-(4-bromo-2,3-difluorophenyl)propan-2-amine?
The canonical SMILES for 2-(4-bromo-2,3-difluorophenyl)propan-2-amine is CC(C)(N)c1ccc(Br)c(F)c1F.
What is the InChIKey of 2-(4-bromo-2,3-difluorophenyl)propan-2-amine?
The InChIKey is KSDPVVCBPLKXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF2N/c1-9(2,13)5-3-4-6(10)8(12)7(5)11/h3-4H,13H2,1-2H3.
What are the key properties of 2-(4-bromo-2,3-difluorophenyl)propan-2-amine?
2-(4-bromo-2,3-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-(4-bromo-2,3-difluorophenyl)propan-2-amine is sourced from PubChem (CID 117378217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).