1-[3-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]-N-methylmethanamine

C15H14BrF2NO — CID 106262951

IUPAC1-[3-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cccc(OCc2c(F)ccc(Br)c2F)c1
InChIInChI=1S/C15H14BrF2NO/c1-19-8-10-3-2-4-11(7-10)20-9-12-14(17)6-5-13(16)15(12)18/h2-7,19H,8-9H2,1H3
InChIKeyIGKSMTKMRPXWNY-UHFFFAOYSA-N
MW342.18 g/mol
LogP4.03
Rot. Bonds5

About 1-[3-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]-N-methylmethanamine

1-[3-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]-N-methylmethanamine (PubChem CID 106262951) has the molecular formula C15H14BrF2NO and a molecular weight of 342.18 g/mol. Its IUPAC name is 1-[3-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]-N-methylmethanamine
PubChem CID106262951
Molecular FormulaC15H14BrF2NO
Molecular Weight342.18 g/mol
Exact Mass341.02
IUPAC Name1-[3-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cccc(OCc2c(F)ccc(Br)c2F)c1
InChIInChI=1S/C15H14BrF2NO/c1-19-8-10-3-2-4-11(7-10)20-9-12-14(17)6-5-13(16)15(12)18/h2-7,19H,8-9H2,1H3
InChIKeyIGKSMTKMRPXWNY-UHFFFAOYSA-N
XLogP4.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.18
LogP ≤ 54.03
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

1-bromo-3-[[3-(bromomethyl)phenoxy]methyl]-2,4-difluorobenzene
CID 114165801
1-[3-[(4-bromo-3-fluorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 65201443
1-[3-[(2,3-difluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 43658767
1-[3-[(4-bromo-2-fluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 60880914
1-bromo-2,4-difluoro-3-[(3-iodophenoxy)methyl]benzene
CID 106264107
1-[3-(3-bromo-4-fluorophenoxy)phenyl]-N-methylmethanamine
CID 83234561
1-[3-(2,2-difluoroethoxy)phenyl]-N-methylmethanamine
CID 60922910
1-[3-[(3-bromo-4-fluorophenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine
CID 107457922
1-[3-[(5-bromofuran-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 106485972
1-[3-[2-(3-fluorophenoxy)ethoxy]phenyl]-N-methylmethanamine
CID 62459750
1-[3-[(5-bromo-3-pyridinyl)methoxy]phenyl]-N-methylmethanamine
CID 113454072
1-[3-[(3-chlorophenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine
CID 107457483

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]-N-methylmethanamine (CID 106262951) is 1-[3-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]-N-methylmethanamine is CNCc1cccc(OCc2c(F)ccc(Br)c2F)c1.
What is the InChIKey of 1-[3-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]-N-methylmethanamine?
The InChIKey is IGKSMTKMRPXWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2NO/c1-19-8-10-3-2-4-11(7-10)20-9-12-14(17)6-5-13(16)15(12)18/h2-7,19H,8-9H2,1H3.
What are the key properties of 1-[3-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]-N-methylmethanamine?
1-[3-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]-N-methylmethanamine has a molecular weight of 342.18 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 106262951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).