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

C7H8BrClFN — CID 18468197

IUPAC(4-bromo-2-fluorophenyl)methanamine;hydrochloride
SMILESCl.NCc1ccc(Br)cc1F
InChIInChI=1S/C7H7BrFN.ClH/c8-6-2-1-5(4-10)7(9)3-6;/h1-3H,4,10H2;1H
InChIKeyRTQOFJWBJNVJEO-UHFFFAOYSA-N
MW240.50 g/mol
LogP2.47
Rot. Bonds1

About (4-bromo-2-fluorophenyl)methanamine;hydrochloride

(4-bromo-2-fluorophenyl)methanamine;hydrochloride (PubChem CID 18468197) has the molecular formula C7H8BrClFN and a molecular weight of 240.50 g/mol. Its IUPAC name is (4-bromo-2-fluorophenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(4-bromo-2-fluorophenyl)methanamine;hydrochloride
PubChem CID18468197
Molecular FormulaC7H8BrClFN
Molecular Weight240.50 g/mol
Exact Mass238.95
IUPAC Name(4-bromo-2-fluorophenyl)methanamine;hydrochloride
SMILESCl.NCc1ccc(Br)cc1F
InChIInChI=1S/C7H7BrFN.ClH/c8-6-2-1-5(4-10)7(9)3-6;/h1-3H,4,10H2;1H
InChIKeyRTQOFJWBJNVJEO-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 (4-bromo-2-fluorophenyl)methanamine;hydrochloride?
The IUPAC name of (4-bromo-2-fluorophenyl)methanamine;hydrochloride (CID 18468197) is (4-bromo-2-fluorophenyl)methanamine;hydrochloride.
What is the SMILES notation for (4-bromo-2-fluorophenyl)methanamine;hydrochloride?
The canonical SMILES for (4-bromo-2-fluorophenyl)methanamine;hydrochloride is Cl.NCc1ccc(Br)cc1F.
What is the InChIKey of (4-bromo-2-fluorophenyl)methanamine;hydrochloride?
The InChIKey is RTQOFJWBJNVJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrFN.ClH/c8-6-2-1-5(4-10)7(9)3-6;/h1-3H,4,10H2;1H.
What are the key properties of (4-bromo-2-fluorophenyl)methanamine;hydrochloride?
(4-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 (4-bromo-2-fluorophenyl)methanamine;hydrochloride is sourced from PubChem (CID 18468197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).