1-[2-(4-bromo-3-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine

C14H12BrF2NO — CID 65201228

IUPAC1-[2-(4-bromo-3-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine
SMILESCNCc1cc(F)ccc1Oc1ccc(Br)c(F)c1
InChIInChI=1S/C14H12BrF2NO/c1-18-8-9-6-10(16)2-5-14(9)19-11-3-4-12(15)13(17)7-11/h2-7,18H,8H2,1H3
InChIKeyKROYMOWLVHTNRM-UHFFFAOYSA-N
MW328.16 g/mol
LogP4.24
Rot. Bonds4

About 1-[2-(4-bromo-3-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine

1-[2-(4-bromo-3-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine (PubChem CID 65201228) has the molecular formula C14H12BrF2NO and a molecular weight of 328.16 g/mol. Its IUPAC name is 1-[2-(4-bromo-3-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(4-bromo-3-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine
PubChem CID65201228
Molecular FormulaC14H12BrF2NO
Molecular Weight328.16 g/mol
Exact Mass327.01
IUPAC Name1-[2-(4-bromo-3-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine
SMILESCNCc1cc(F)ccc1Oc1ccc(Br)c(F)c1
InChIInChI=1S/C14H12BrF2NO/c1-18-8-9-6-10(16)2-5-14(9)19-11-3-4-12(15)13(17)7-11/h2-7,18H,8H2,1H3
InChIKeyKROYMOWLVHTNRM-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.16
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3,5-dimethoxyphenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 43589963
1-[2-(4-bromo-3-fluorophenoxy)-5-fluorophenyl]butan-2-amine
CID 65202987
1-[2-(5-bromo-2-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 114674362
1-[2-(3,5-dichlorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 43622050
1-[2-(3-chlorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 43314250
1-[5-bromo-2-(3-fluorophenoxy)phenyl]-N-methylmethanamine
CID 114061865
N-[[2-(4-bromo-3-methylphenoxy)-5-fluorophenyl]methyl]ethanamine
CID 83141064
1-[5-fluoro-2-(4-nitrophenoxy)phenyl]-N-methylmethanamine
CID 61032416
1-(2-bromo-5-fluorophenyl)-N-methylmethanamine;hydrochloride
CID 86811714
1-[2-(4-butylphenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 115492896
1-[5-fluoro-2-[4-(2-methoxyethyl)phenoxy]phenyl]-N-methylmethanamine
CID 43314356
N-[[2-(4-bromo-3-methylphenoxy)-5-fluorophenyl]methyl]propan-1-amine
CID 83136673

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromo-3-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(4-bromo-3-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine (CID 65201228) is 1-[2-(4-bromo-3-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(4-bromo-3-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(4-bromo-3-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine is CNCc1cc(F)ccc1Oc1ccc(Br)c(F)c1.
What is the InChIKey of 1-[2-(4-bromo-3-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine?
The InChIKey is KROYMOWLVHTNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2NO/c1-18-8-9-6-10(16)2-5-14(9)19-11-3-4-12(15)13(17)7-11/h2-7,18H,8H2,1H3.
What are the key properties of 1-[2-(4-bromo-3-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine?
1-[2-(4-bromo-3-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine has a molecular weight of 328.16 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromo-3-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine is sourced from PubChem (CID 65201228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).