1-[3-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]-N-methylmethanamine

C15H14Br2FNO — CID 79703239

IUPAC1-[3-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cccc(Br)c1OCc1cc(F)cc(Br)c1
InChIInChI=1S/C15H14Br2FNO/c1-19-8-11-3-2-4-14(17)15(11)20-9-10-5-12(16)7-13(18)6-10/h2-7,19H,8-9H2,1H3
InChIKeyJQVPUIWMPAMBJU-UHFFFAOYSA-N
MW403.09 g/mol
LogP4.65
Rot. Bonds5

About 1-[3-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]-N-methylmethanamine

1-[3-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]-N-methylmethanamine (PubChem CID 79703239) has the molecular formula C15H14Br2FNO and a molecular weight of 403.09 g/mol. Its IUPAC name is 1-[3-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]-N-methylmethanamine
PubChem CID79703239
Molecular FormulaC15H14Br2FNO
Molecular Weight403.09 g/mol
Exact Mass400.94
IUPAC Name1-[3-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cccc(Br)c1OCc1cc(F)cc(Br)c1
InChIInChI=1S/C15H14Br2FNO/c1-19-8-11-3-2-4-14(17)15(11)20-9-10-5-12(16)7-13(18)6-10/h2-7,19H,8-9H2,1H3
InChIKeyJQVPUIWMPAMBJU-UHFFFAOYSA-N
XLogP4.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.09
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]methanol
CID 79706812
1-[3-bromo-2-[(3,5-dimethylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 61390155
1-[3-bromo-4-[(3-bromo-5-fluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 79704143
1-[2-[(3-fluorophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine
CID 112608310
4-[[2-bromo-6-(methylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 63887268
2-[2-[(3-bromo-5-fluorophenyl)methoxy]-3-methylphenyl]ethanamine
CID 115957707
1-[2-[(3-bromo-5-fluorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 81325621
1-bromo-3-(bromomethyl)-2-[(3-fluorophenyl)methoxy]benzene
CID 63536395
1-[3-bromo-2-(2-methylpropoxy)phenyl]-N-methylmethanamine
CID 61389671
1-(3-bromo-2-prop-2-enoxyphenyl)-N-methylmethanamine
CID 61390299
1-[2-[(5-bromo-2-fluorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 115952475
1-[3-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]-N-methylmethanamine
CID 61390263

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]-N-methylmethanamine (CID 79703239) is 1-[3-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]-N-methylmethanamine is CNCc1cccc(Br)c1OCc1cc(F)cc(Br)c1.
What is the InChIKey of 1-[3-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]-N-methylmethanamine?
The InChIKey is JQVPUIWMPAMBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2FNO/c1-19-8-11-3-2-4-14(17)15(11)20-9-10-5-12(16)7-13(18)6-10/h2-7,19H,8-9H2,1H3.
What are the key properties of 1-[3-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]-N-methylmethanamine?
1-[3-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]-N-methylmethanamine has a molecular weight of 403.09 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 79703239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).