[5-[(5-bromo-2,3-difluorophenoxy)methyl]-2-fluorophenyl]methanamine

C14H11BrF3NO — CID 107879103

IUPAC[5-[(5-bromo-2,3-difluorophenoxy)methyl]-2-fluorophenyl]methanamine
SMILESNCc1cc(COc2cc(Br)cc(F)c2F)ccc1F
InChIInChI=1S/C14H11BrF3NO/c15-10-4-12(17)14(18)13(5-10)20-7-8-1-2-11(16)9(3-8)6-19/h1-5H,6-7,19H2
InChIKeyFAANBBUADNCGSS-UHFFFAOYSA-N
MW346.15 g/mol
LogP3.90
Rot. Bonds4

About [5-[(5-bromo-2,3-difluorophenoxy)methyl]-2-fluorophenyl]methanamine

[5-[(5-bromo-2,3-difluorophenoxy)methyl]-2-fluorophenyl]methanamine (PubChem CID 107879103) has the molecular formula C14H11BrF3NO and a molecular weight of 346.15 g/mol. Its IUPAC name is [5-[(5-bromo-2,3-difluorophenoxy)methyl]-2-fluorophenyl]methanamine.

Molecular Properties

Compound Name[5-[(5-bromo-2,3-difluorophenoxy)methyl]-2-fluorophenyl]methanamine
PubChem CID107879103
Molecular FormulaC14H11BrF3NO
Molecular Weight346.15 g/mol
Exact Mass345.00
IUPAC Name[5-[(5-bromo-2,3-difluorophenoxy)methyl]-2-fluorophenyl]methanamine
SMILESNCc1cc(COc2cc(Br)cc(F)c2F)ccc1F
InChIInChI=1S/C14H11BrF3NO/c15-10-4-12(17)14(18)13(5-10)20-7-8-1-2-11(16)9(3-8)6-19/h1-5H,6-7,19H2
InChIKeyFAANBBUADNCGSS-UHFFFAOYSA-N
XLogP3.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.15
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[5-[(2,3-difluorophenoxy)methyl]-2-fluorophenyl]methanamine
CID 107879019
[2-[(5-bromo-2,3-difluorophenoxy)methyl]-4-fluorophenyl]methanamine
CID 107097834
[5-[(2-bromo-5-fluorophenoxy)methyl]-2-fluorophenyl]methanamine
CID 107879060
5-bromo-1-[(3,4-dimethoxyphenyl)methoxy]-2,3-difluorobenzene
CID 107098957
[5-[(4-bromophenyl)methoxymethyl]-2-fluorophenyl]methanamine
CID 107879069
5-bromo-1-[(4-chloro-2-fluorophenyl)methoxy]-2,3-difluorobenzene
CID 107098658
2-[4-[(5-bromo-2,3-difluorophenoxy)methyl]phenyl]-N-methylethanamine
CID 107101528
5-[(5-bromo-2,3-difluorophenoxy)methyl]-2-nitroaniline
CID 107100997
[5-[(2,3-dichlorophenoxy)methyl]-2-fluorophenyl]methanamine
CID 107878986
1-bromo-3-[(5-bromo-2,3-difluorophenoxy)methyl]-2,4-difluorobenzene
CID 106264121
[5-bromo-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]methanamine
CID 103037777
[2-[(3-bromo-4-fluorophenyl)methoxy]-5-fluorophenyl]methanamine
CID 107695003

Frequently Asked Questions

What is the IUPAC name of [5-[(5-bromo-2,3-difluorophenoxy)methyl]-2-fluorophenyl]methanamine?
The IUPAC name of [5-[(5-bromo-2,3-difluorophenoxy)methyl]-2-fluorophenyl]methanamine (CID 107879103) is [5-[(5-bromo-2,3-difluorophenoxy)methyl]-2-fluorophenyl]methanamine.
What is the SMILES notation for [5-[(5-bromo-2,3-difluorophenoxy)methyl]-2-fluorophenyl]methanamine?
The canonical SMILES for [5-[(5-bromo-2,3-difluorophenoxy)methyl]-2-fluorophenyl]methanamine is NCc1cc(COc2cc(Br)cc(F)c2F)ccc1F.
What is the InChIKey of [5-[(5-bromo-2,3-difluorophenoxy)methyl]-2-fluorophenyl]methanamine?
The InChIKey is FAANBBUADNCGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF3NO/c15-10-4-12(17)14(18)13(5-10)20-7-8-1-2-11(16)9(3-8)6-19/h1-5H,6-7,19H2.
What are the key properties of [5-[(5-bromo-2,3-difluorophenoxy)methyl]-2-fluorophenyl]methanamine?
[5-[(5-bromo-2,3-difluorophenoxy)methyl]-2-fluorophenyl]methanamine has a molecular weight of 346.15 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(5-bromo-2,3-difluorophenoxy)methyl]-2-fluorophenyl]methanamine is sourced from PubChem (CID 107879103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).