(2-bromo-4-chloro-6-fluorophenyl)methanamine

C7H6BrClFN — CID 84799307

IUPAC(2-bromo-4-chloro-6-fluorophenyl)methanamine
SMILESNCc1c(F)cc(Cl)cc1Br
InChIInChI=1S/C7H6BrClFN/c8-6-1-4(9)2-7(10)5(6)3-11/h1-2H,3,11H2
InChIKeyUHJSQMXUHKRATI-UHFFFAOYSA-N
MW238.49 g/mol
LogP2.70
Rot. Bonds1

About (2-bromo-4-chloro-6-fluorophenyl)methanamine

(2-bromo-4-chloro-6-fluorophenyl)methanamine (PubChem CID 84799307) has the molecular formula C7H6BrClFN and a molecular weight of 238.49 g/mol. Its IUPAC name is (2-bromo-4-chloro-6-fluorophenyl)methanamine.

Molecular Properties

Compound Name(2-bromo-4-chloro-6-fluorophenyl)methanamine
PubChem CID84799307
Molecular FormulaC7H6BrClFN
Molecular Weight238.49 g/mol
Exact Mass236.94
IUPAC Name(2-bromo-4-chloro-6-fluorophenyl)methanamine
SMILESNCc1c(F)cc(Cl)cc1Br
InChIInChI=1S/C7H6BrClFN/c8-6-1-4(9)2-7(10)5(6)3-11/h1-2H,3,11H2
InChIKeyUHJSQMXUHKRATI-UHFFFAOYSA-N
XLogP2.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.49
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-Bromo-2-chlorophenyl)methanamine
CID 25258775
1-(4-Bromo-2-chlorophenyl)methanamine hydrochloride
CID 53407889
3-Bromo-4-chlorobenzylamine
CID 57813392
(3-Bromo-5-chlorophenyl)methanamine
CID 58962965
(2-Bromo-5-chlorophenyl)methanamine
CID 65811418
5-Bromo-3-chloro-2-fluorobenzenemethanamine
CID 68283921
(2-Bromo-4-chlorophenyl)methanamine hydrochloride
CID 127264608
1-(2-Bromo-3,5-difluorophenyl)methanamine hydrochloride
CID 140186239
6-Bromo-3-chloro-2-fluorobenzylamine
CID 83409842
(4-Bromo-2,6-dichlorophenyl)methanamine hydrochloride
CID 132300824
2-(2-Bromo-4-chlorophenyl)ethan-1-amine hydrochloride
CID 132354128
(2-Bromo-3-chlorophenyl)methanamine hydrochloride
CID 135396912

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-chloro-6-fluorophenyl)methanamine?
The IUPAC name of (2-bromo-4-chloro-6-fluorophenyl)methanamine (CID 84799307) is (2-bromo-4-chloro-6-fluorophenyl)methanamine.
What is the SMILES notation for (2-bromo-4-chloro-6-fluorophenyl)methanamine?
The canonical SMILES for (2-bromo-4-chloro-6-fluorophenyl)methanamine is NCc1c(F)cc(Cl)cc1Br.
What is the InChIKey of (2-bromo-4-chloro-6-fluorophenyl)methanamine?
The InChIKey is UHJSQMXUHKRATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrClFN/c8-6-1-4(9)2-7(10)5(6)3-11/h1-2H,3,11H2.
What are the key properties of (2-bromo-4-chloro-6-fluorophenyl)methanamine?
(2-bromo-4-chloro-6-fluorophenyl)methanamine has a molecular weight of 238.49 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-chloro-6-fluorophenyl)methanamine is sourced from PubChem (CID 84799307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).