[2-(3-bromo-2,6-difluorophenyl)-5-chlorophenyl]methanamine

C13H9BrClF2N — CID 106943291

IUPAC[2-(3-bromo-2,6-difluorophenyl)-5-chlorophenyl]methanamine
SMILESNCc1cc(Cl)ccc1-c1c(F)ccc(Br)c1F
InChIInChI=1S/C13H9BrClF2N/c14-10-3-4-11(16)12(13(10)17)9-2-1-8(15)5-7(9)6-18/h1-5H,6,18H2
InChIKeyRREREQBYXRBQJU-UHFFFAOYSA-N
MW332.58 g/mol
LogP4.51
Rot. Bonds2

About [2-(3-bromo-2,6-difluorophenyl)-5-chlorophenyl]methanamine

[2-(3-bromo-2,6-difluorophenyl)-5-chlorophenyl]methanamine (PubChem CID 106943291) has the molecular formula C13H9BrClF2N and a molecular weight of 332.58 g/mol. Its IUPAC name is [2-(3-bromo-2,6-difluorophenyl)-5-chlorophenyl]methanamine.

Molecular Properties

Compound Name[2-(3-bromo-2,6-difluorophenyl)-5-chlorophenyl]methanamine
PubChem CID106943291
Molecular FormulaC13H9BrClF2N
Molecular Weight332.58 g/mol
Exact Mass330.96
IUPAC Name[2-(3-bromo-2,6-difluorophenyl)-5-chlorophenyl]methanamine
SMILESNCc1cc(Cl)ccc1-c1c(F)ccc(Br)c1F
InChIInChI=1S/C13H9BrClF2N/c14-10-3-4-11(16)12(13(10)17)9-2-1-8(15)5-7(9)6-18/h1-5H,6,18H2
InChIKeyRREREQBYXRBQJU-UHFFFAOYSA-N
XLogP4.51
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.58
LogP ≤ 54.51
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-(4-bromo-3-chloro-2-fluorophenyl)-5-chlorophenyl]methanamine
CID 106763212
[4-(3-bromo-2,6-difluorophenyl)-3-fluorophenyl]methanamine
CID 106943356
[5-chloro-2-(2,4,6-trimethylphenyl)phenyl]methanamine
CID 66157888
[5-chloro-2-(2,4-difluorophenyl)phenyl]methanamine
CID 66159329
[5-chloro-2-(2,4-dichlorophenyl)phenyl]methanamine
CID 66159336
2-(3-bromo-2,6-difluorophenyl)-4-chlorobenzoic acid
CID 114024727
[2-[2-(aminomethyl)-4-chlorophenyl]phenyl]methanamine
CID 143648199
[5-chloro-2-(2-methylnaphthalen-1-yl)phenyl]methanamine
CID 81431357
(4-bromo-2,3-difluorophenyl)methanamine
CID 66820102
1-bromo-2-(bromomethyl)-4-chlorobenzene
CID 11846505
[5-fluoro-2-(2,3,4,5,6-pentachlorophenyl)phenyl]methanamine
CID 134631525
[2-(2,5-dichlorophenyl)-5-fluorophenyl]methanamine
CID 104729171

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromo-2,6-difluorophenyl)-5-chlorophenyl]methanamine?
The IUPAC name of [2-(3-bromo-2,6-difluorophenyl)-5-chlorophenyl]methanamine (CID 106943291) is [2-(3-bromo-2,6-difluorophenyl)-5-chlorophenyl]methanamine.
What is the SMILES notation for [2-(3-bromo-2,6-difluorophenyl)-5-chlorophenyl]methanamine?
The canonical SMILES for [2-(3-bromo-2,6-difluorophenyl)-5-chlorophenyl]methanamine is NCc1cc(Cl)ccc1-c1c(F)ccc(Br)c1F.
What is the InChIKey of [2-(3-bromo-2,6-difluorophenyl)-5-chlorophenyl]methanamine?
The InChIKey is RREREQBYXRBQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClF2N/c14-10-3-4-11(16)12(13(10)17)9-2-1-8(15)5-7(9)6-18/h1-5H,6,18H2.
What are the key properties of [2-(3-bromo-2,6-difluorophenyl)-5-chlorophenyl]methanamine?
[2-(3-bromo-2,6-difluorophenyl)-5-chlorophenyl]methanamine has a molecular weight of 332.58 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromo-2,6-difluorophenyl)-5-chlorophenyl]methanamine is sourced from PubChem (CID 106943291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).