2-(4-bromo-3-fluorophenyl)propan-2-amine;hydrochloride

C9H12BrClFN — CID 155821579

IUPAC2-(4-bromo-3-fluorophenyl)propan-2-amine;hydrochloride
SMILESCC(C)(N)c1ccc(Br)c(F)c1.Cl
InChIInChI=1S/C9H11BrFN.ClH/c1-9(2,12)6-3-4-7(10)8(11)5-6;/h3-5H,12H2,1-2H3;1H
InChIKeyLVCUKCRILQNCLC-UHFFFAOYSA-N
MW268.56 g/mol
LogP3.20
Rot. Bonds1

About 2-(4-bromo-3-fluorophenyl)propan-2-amine;hydrochloride

2-(4-bromo-3-fluorophenyl)propan-2-amine;hydrochloride (PubChem CID 155821579) has the molecular formula C9H12BrClFN and a molecular weight of 268.56 g/mol. Its IUPAC name is 2-(4-bromo-3-fluorophenyl)propan-2-amine;hydrochloride.

Molecular Properties

Compound Name2-(4-bromo-3-fluorophenyl)propan-2-amine;hydrochloride
PubChem CID155821579
Molecular FormulaC9H12BrClFN
Molecular Weight268.56 g/mol
Exact Mass266.98
IUPAC Name2-(4-bromo-3-fluorophenyl)propan-2-amine;hydrochloride
SMILESCC(C)(N)c1ccc(Br)c(F)c1.Cl
InChIInChI=1S/C9H11BrFN.ClH/c1-9(2,12)6-3-4-7(10)8(11)5-6;/h3-5H,12H2,1-2H3;1H
InChIKeyLVCUKCRILQNCLC-UHFFFAOYSA-N
XLogP3.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.56
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-fluoro-4-methylphenyl)propan-2-amine
CID 79005020
4-(2-aminopropan-2-yl)-2-fluorobenzenesulfonamide
CID 146570721
2-(4-bromo-3-fluorophenyl)-2-methylpropan-1-ol
CID 117369445
2-(3,4,5-trifluorophenyl)propan-2-amine;hydrochloride
CID 154857245
2-(3-bromo-4-chloro-5-fluorophenyl)propan-2-amine
CID 117420420
1-(4-bromo-3-fluorophenyl)-1-phenylethanol
CID 66915422
2-[3-bromo-4-(difluoromethyl)phenyl]propan-2-amine
CID 117414435
1-bromo-4-[2-(4-tert-butylphenyl)ethynyl]-2-fluorobenzene
CID 56965177
2-(2-aminopropan-2-yl)-5-bromo-4-fluorophenol
CID 84803507
2-(4-fluorophenyl)propan-2-amine
CID 13025665
2-(4-bromophenyl)propan-2-amine;hydroiodide
CID 163210830
1-bromo-4-(2,2-dimethylpropyl)-2-fluorobenzene
CID 168841969

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-fluorophenyl)propan-2-amine;hydrochloride?
The IUPAC name of 2-(4-bromo-3-fluorophenyl)propan-2-amine;hydrochloride (CID 155821579) is 2-(4-bromo-3-fluorophenyl)propan-2-amine;hydrochloride.
What is the SMILES notation for 2-(4-bromo-3-fluorophenyl)propan-2-amine;hydrochloride?
The canonical SMILES for 2-(4-bromo-3-fluorophenyl)propan-2-amine;hydrochloride is CC(C)(N)c1ccc(Br)c(F)c1.Cl.
What is the InChIKey of 2-(4-bromo-3-fluorophenyl)propan-2-amine;hydrochloride?
The InChIKey is LVCUKCRILQNCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFN.ClH/c1-9(2,12)6-3-4-7(10)8(11)5-6;/h3-5H,12H2,1-2H3;1H.
What are the key properties of 2-(4-bromo-3-fluorophenyl)propan-2-amine;hydrochloride?
2-(4-bromo-3-fluorophenyl)propan-2-amine;hydrochloride has a molecular weight of 268.56 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-fluorophenyl)propan-2-amine;hydrochloride is sourced from PubChem (CID 155821579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).