(5-bromo-2-fluorophenyl)methanamine;hydrochloride

C7H8BrClFN — CID 2724903

IUPAC(5-bromo-2-fluorophenyl)methanamine;hydrochloride
SMILESCl.NCc1cc(Br)ccc1F
InChIInChI=1S/C7H7BrFN.ClH/c8-6-1-2-7(9)5(3-6)4-10;/h1-3H,4,10H2;1H
InChIKeyKPOKOEWRTGFXDF-UHFFFAOYSA-N
MW240.50 g/mol
LogP2.47
Rot. Bonds1

About (5-bromo-2-fluorophenyl)methanamine;hydrochloride

(5-bromo-2-fluorophenyl)methanamine;hydrochloride (PubChem CID 2724903) has the molecular formula C7H8BrClFN and a molecular weight of 240.50 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)methanamine;hydrochloride
PubChem CID2724903
Molecular FormulaC7H8BrClFN
Molecular Weight240.50 g/mol
Exact Mass238.95
IUPAC Name(5-bromo-2-fluorophenyl)methanamine;hydrochloride
SMILESCl.NCc1cc(Br)ccc1F
InChIInChI=1S/C7H7BrFN.ClH/c8-6-1-2-7(9)5(3-6)4-10;/h1-3H,4,10H2;1H
InChIKeyKPOKOEWRTGFXDF-UHFFFAOYSA-N
XLogP2.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.50
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)methanamine;hydrochloride?
The IUPAC name of (5-bromo-2-fluorophenyl)methanamine;hydrochloride (CID 2724903) is (5-bromo-2-fluorophenyl)methanamine;hydrochloride.
What is the SMILES notation for (5-bromo-2-fluorophenyl)methanamine;hydrochloride?
The canonical SMILES for (5-bromo-2-fluorophenyl)methanamine;hydrochloride is Cl.NCc1cc(Br)ccc1F.
What is the InChIKey of (5-bromo-2-fluorophenyl)methanamine;hydrochloride?
The InChIKey is KPOKOEWRTGFXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrFN.ClH/c8-6-1-2-7(9)5(3-6)4-10;/h1-3H,4,10H2;1H.
What are the key properties of (5-bromo-2-fluorophenyl)methanamine;hydrochloride?
(5-bromo-2-fluorophenyl)methanamine;hydrochloride has a molecular weight of 240.50 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluorophenyl)methanamine;hydrochloride is sourced from PubChem (CID 2724903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).