(1R)-1-(5-bromo-2-fluorophenyl)ethanamine;hydrochloride

C8H10BrClFN — CID 126530683

IUPAC(1R)-1-(5-bromo-2-fluorophenyl)ethanamine;hydrochloride
SMILESC[C@@H](N)c1cc(Br)ccc1F.Cl
InChIInChI=1S/C8H9BrFN.ClH/c1-5(11)7-4-6(9)2-3-8(7)10;/h2-5H,11H2,1H3;1H/t5-;/m1./s1
InChIKeyCUNUPFARYIMUPT-NUBCRITNSA-N
MW254.53 g/mol
LogP3.03
Rot. Bonds1

About (1R)-1-(5-bromo-2-fluorophenyl)ethanamine;hydrochloride

(1R)-1-(5-bromo-2-fluorophenyl)ethanamine;hydrochloride (PubChem CID 126530683) has the molecular formula C8H10BrClFN and a molecular weight of 254.53 g/mol. Its IUPAC name is (1R)-1-(5-bromo-2-fluorophenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(5-bromo-2-fluorophenyl)ethanamine;hydrochloride
PubChem CID126530683
Molecular FormulaC8H10BrClFN
Molecular Weight254.53 g/mol
Exact Mass252.97
IUPAC Name(1R)-1-(5-bromo-2-fluorophenyl)ethanamine;hydrochloride
SMILESC[C@@H](N)c1cc(Br)ccc1F.Cl
InChIInChI=1S/C8H9BrFN.ClH/c1-5(11)7-4-6(9)2-3-8(7)10;/h2-5H,11H2,1H3;1H/t5-;/m1./s1
InChIKeyCUNUPFARYIMUPT-NUBCRITNSA-N
XLogP3.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.53
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-bromo-2-fluorophenyl)ethanamine;hydrochloride?
The IUPAC name of (1R)-1-(5-bromo-2-fluorophenyl)ethanamine;hydrochloride (CID 126530683) is (1R)-1-(5-bromo-2-fluorophenyl)ethanamine;hydrochloride.
What is the SMILES notation for (1R)-1-(5-bromo-2-fluorophenyl)ethanamine;hydrochloride?
The canonical SMILES for (1R)-1-(5-bromo-2-fluorophenyl)ethanamine;hydrochloride is C[C@@H](N)c1cc(Br)ccc1F.Cl.
What is the InChIKey of (1R)-1-(5-bromo-2-fluorophenyl)ethanamine;hydrochloride?
The InChIKey is CUNUPFARYIMUPT-NUBCRITNSA-N. The full InChI is InChI=1S/C8H9BrFN.ClH/c1-5(11)7-4-6(9)2-3-8(7)10;/h2-5H,11H2,1H3;1H/t5-;/m1./s1.
What are the key properties of (1R)-1-(5-bromo-2-fluorophenyl)ethanamine;hydrochloride?
(1R)-1-(5-bromo-2-fluorophenyl)ethanamine;hydrochloride has a molecular weight of 254.53 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-bromo-2-fluorophenyl)ethanamine;hydrochloride is sourced from PubChem (CID 126530683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).