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

C7H6BrF2N — CID 66820102

IUPAC(4-bromo-2,3-difluorophenyl)methanamine
SMILESNCc1ccc(Br)c(F)c1F
InChIInChI=1S/C7H6BrF2N/c8-5-2-1-4(3-11)6(9)7(5)10/h1-2H,3,11H2
InChIKeySDJRJURTLACTFQ-UHFFFAOYSA-N
MW222.03 g/mol
LogP2.19
Rot. Bonds1

About (4-bromo-2,3-difluorophenyl)methanamine

(4-bromo-2,3-difluorophenyl)methanamine (PubChem CID 66820102) has the molecular formula C7H6BrF2N and a molecular weight of 222.03 g/mol. Its IUPAC name is (4-bromo-2,3-difluorophenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-2,3-difluorophenyl)methanamine
PubChem CID66820102
Molecular FormulaC7H6BrF2N
Molecular Weight222.03 g/mol
Exact Mass220.97
IUPAC Name(4-bromo-2,3-difluorophenyl)methanamine
SMILESNCc1ccc(Br)c(F)c1F
InChIInChI=1S/C7H6BrF2N/c8-5-2-1-4(3-11)6(9)7(5)10/h1-2H,3,11H2
InChIKeySDJRJURTLACTFQ-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_2', 'substructure': 'N/A'}

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Related Compounds

3-(aminomethyl)-6-bromo-2-fluorophenol
CID 118845822
1-bromo-4-but-2-enyl-2,3-difluorobenzene
CID 175075918
(2,3-difluoro-4-methylsulfonylphenyl)methanamine
CID 117315311
1,3-dibromo-2-fluoro-4-(fluoromethyl)benzene
CID 118824651
(2-amino-4-bromo-3-fluorophenyl)methanol
CID 150043826
1-bromo-2,3-difluoro-4-(phenoxymethyl)benzene
CID 67434406
[2-(4-bromo-3-chloro-2-fluorophenyl)-5-chlorophenyl]methanamine
CID 106763212
[2-(3-bromo-2,6-difluorophenyl)-5-chlorophenyl]methanamine
CID 106943291
[3-bromo-2-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]methanamine
CID 106262960
(4-bromo-3-fluoro-2-methylphenyl)methanamine;(4-bromo-3-fluoro-2-methylphenyl)methyl methanesulfonate
CID 157078024
(2,4-difluoro-3-methylphenyl)methanamine
CID 11469203
[3-(aminomethyl)-5-bromo-2-fluorophenyl]methanamine
CID 53474963

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,3-difluorophenyl)methanamine?
The IUPAC name of (4-bromo-2,3-difluorophenyl)methanamine (CID 66820102) is (4-bromo-2,3-difluorophenyl)methanamine.
What is the SMILES notation for (4-bromo-2,3-difluorophenyl)methanamine?
The canonical SMILES for (4-bromo-2,3-difluorophenyl)methanamine is NCc1ccc(Br)c(F)c1F.
What is the InChIKey of (4-bromo-2,3-difluorophenyl)methanamine?
The InChIKey is SDJRJURTLACTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF2N/c8-5-2-1-4(3-11)6(9)7(5)10/h1-2H,3,11H2.
What are the key properties of (4-bromo-2,3-difluorophenyl)methanamine?
(4-bromo-2,3-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 (4-bromo-2,3-difluorophenyl)methanamine is sourced from PubChem (CID 66820102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).