(2-bromo-3,6-difluorophenyl)methanamine

C7H6BrF2N — CID 124707320

IUPAC(2-bromo-3,6-difluorophenyl)methanamine
SMILESNCc1c(F)ccc(F)c1Br
InChIInChI=1S/C7H6BrF2N/c8-7-4(3-11)5(9)1-2-6(7)10/h1-2H,3,11H2
InChIKeyCDBKFFLLILQXDI-UHFFFAOYSA-N
MW222.03 g/mol
LogP2.19
Rot. Bonds1

About (2-bromo-3,6-difluorophenyl)methanamine

(2-bromo-3,6-difluorophenyl)methanamine (PubChem CID 124707320) has the molecular formula C7H6BrF2N and a molecular weight of 222.03 g/mol. Its IUPAC name is (2-bromo-3,6-difluorophenyl)methanamine.

Molecular Properties

Compound Name(2-bromo-3,6-difluorophenyl)methanamine
PubChem CID124707320
Molecular FormulaC7H6BrF2N
Molecular Weight222.03 g/mol
Exact Mass220.97
IUPAC Name(2-bromo-3,6-difluorophenyl)methanamine
SMILESNCc1c(F)ccc(F)c1Br
InChIInChI=1S/C7H6BrF2N/c8-7-4(3-11)5(9)1-2-6(7)10/h1-2H,3,11H2
InChIKeyCDBKFFLLILQXDI-UHFFFAOYSA-N
XLogP2.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.03
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(2-bromo-3-fluoro-6-iodophenyl)methanamine
CID 171018100
(3,6-difluoro-2-iodophenyl)methanamine
CID 171014963
1-(2-bromo-3,6-difluorophenyl)propan-2-amine
CID 127010991
2-(aminomethyl)-6-bromo-3-fluorobenzonitrile
CID 171013972
2-(3-aminopropyl)-3-bromo-4-fluorophenol
CID 83900223
2-(aminomethyl)-3,6-difluorobenzonitrile
CID 118991249
2-(aminomethyl)-3,6-difluorobenzoic acid
CID 115017213
2-bromo-3-(bromomethyl)-1-fluoro-4-methylbenzene
CID 131575794
2-bromo-1,4-difluoro-3-iodobenzene
CID 50998401
(4-bromo-2,6-difluorophenyl)methanamine;hydrochloride
CID 73012230
(2-bromo-3-fluoro-6-iodophenyl)methanol
CID 131332714
2,3-bis(bromomethyl)-1,4-difluorobenzene
CID 59382290

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3,6-difluorophenyl)methanamine?
The IUPAC name of (2-bromo-3,6-difluorophenyl)methanamine (CID 124707320) is (2-bromo-3,6-difluorophenyl)methanamine.
What is the SMILES notation for (2-bromo-3,6-difluorophenyl)methanamine?
The canonical SMILES for (2-bromo-3,6-difluorophenyl)methanamine is NCc1c(F)ccc(F)c1Br.
What is the InChIKey of (2-bromo-3,6-difluorophenyl)methanamine?
The InChIKey is CDBKFFLLILQXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF2N/c8-7-4(3-11)5(9)1-2-6(7)10/h1-2H,3,11H2.
What are the key properties of (2-bromo-3,6-difluorophenyl)methanamine?
(2-bromo-3,6-difluorophenyl)methanamine has a molecular weight of 222.03 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3,6-difluorophenyl)methanamine is sourced from PubChem (CID 124707320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).