[3-bromo-4-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]methanamine

C14H11Br2F2NO — CID 106262966

IUPAC[3-bromo-4-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]methanamine
SMILESNCc1ccc(OCc2c(F)ccc(Br)c2F)c(Br)c1
InChIInChI=1S/C14H11Br2F2NO/c15-10-2-3-12(17)9(14(10)18)7-20-13-4-1-8(6-19)5-11(13)16/h1-5H,6-7,19H2
InChIKeyPNRJPDLJCDONMH-UHFFFAOYSA-N
MW407.05 g/mol
LogP4.53
Rot. Bonds4

About [3-bromo-4-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]methanamine

[3-bromo-4-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]methanamine (PubChem CID 106262966) has the molecular formula C14H11Br2F2NO and a molecular weight of 407.05 g/mol. Its IUPAC name is [3-bromo-4-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-bromo-4-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]methanamine
PubChem CID106262966
Molecular FormulaC14H11Br2F2NO
Molecular Weight407.05 g/mol
Exact Mass404.92
IUPAC Name[3-bromo-4-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]methanamine
SMILESNCc1ccc(OCc2c(F)ccc(Br)c2F)c(Br)c1
InChIInChI=1S/C14H11Br2F2NO/c15-10-2-3-12(17)9(14(10)18)7-20-13-4-1-8(6-19)5-11(13)16/h1-5H,6-7,19H2
InChIKeyPNRJPDLJCDONMH-UHFFFAOYSA-N
XLogP4.53
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.05
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [3-bromo-4-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-bromo-3-[[5-(bromomethyl)-2-methoxyphenoxy]methyl]-2,4-difluorobenzene
CID 106264490
[3-bromo-4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]methanamine
CID 107879157
1-bromo-2,4-difluoro-3-[(2,4,5-trichlorophenoxy)methyl]benzene
CID 106269847
2-[(3-bromo-2,6-difluorophenyl)methoxy]-4,5-dichloroaniline
CID 106262854
1-bromo-3-[(5-bromo-2,3-difluorophenoxy)methyl]-2,4-difluorobenzene
CID 106264121
2-[2-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]ethanamine
CID 106269112
5-[(3-bromo-2,6-difluorophenyl)methoxy]-2,4-dimethylaniline
CID 106262856
2-[2-[(3-bromo-2,6-difluorophenyl)methoxy]-6-chlorophenyl]ethanamine
CID 106269272
[3-bromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine
CID 63045813
2-bromo-1-[(2-chloro-6-fluorophenyl)methoxy]-4-(chloromethyl)benzene
CID 63534231
[2-[(3-bromo-2,6-difluorophenyl)methoxy]-5-chlorophenyl]methanol
CID 106264375
5-bromo-2-[(3-bromo-2,6-difluorophenyl)methoxy]benzenecarbothioamide
CID 106264053

Frequently Asked Questions

What is the IUPAC name of [3-bromo-4-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]methanamine?
The IUPAC name of [3-bromo-4-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]methanamine (CID 106262966) is [3-bromo-4-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]methanamine.
What is the SMILES notation for [3-bromo-4-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]methanamine?
The canonical SMILES for [3-bromo-4-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]methanamine is NCc1ccc(OCc2c(F)ccc(Br)c2F)c(Br)c1.
What is the InChIKey of [3-bromo-4-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]methanamine?
The InChIKey is PNRJPDLJCDONMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2F2NO/c15-10-2-3-12(17)9(14(10)18)7-20-13-4-1-8(6-19)5-11(13)16/h1-5H,6-7,19H2.
What are the key properties of [3-bromo-4-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]methanamine?
[3-bromo-4-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]methanamine has a molecular weight of 407.05 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-4-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]methanamine is sourced from PubChem (CID 106262966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).