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

C14H12BrF2NO — CID 114674328

IUPAC1-[4-(5-bromo-2-fluorophenoxy)-3-fluorophenyl]-N-methylmethanamine
SMILESCNCc1ccc(Oc2cc(Br)ccc2F)c(F)c1
InChIInChI=1S/C14H12BrF2NO/c1-18-8-9-2-5-13(12(17)6-9)19-14-7-10(15)3-4-11(14)16/h2-7,18H,8H2,1H3
InChIKeyNTHZTGOASBOSQM-UHFFFAOYSA-N
MW328.16 g/mol
LogP4.24
Rot. Bonds4

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

1-[4-(5-bromo-2-fluorophenoxy)-3-fluorophenyl]-N-methylmethanamine (PubChem CID 114674328) has the molecular formula C14H12BrF2NO and a molecular weight of 328.16 g/mol. Its IUPAC name is 1-[4-(5-bromo-2-fluorophenoxy)-3-fluorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(5-bromo-2-fluorophenoxy)-3-fluorophenyl]-N-methylmethanamine
PubChem CID114674328
Molecular FormulaC14H12BrF2NO
Molecular Weight328.16 g/mol
Exact Mass327.01
IUPAC Name1-[4-(5-bromo-2-fluorophenoxy)-3-fluorophenyl]-N-methylmethanamine
SMILESCNCc1ccc(Oc2cc(Br)ccc2F)c(F)c1
InChIInChI=1S/C14H12BrF2NO/c1-18-8-9-2-5-13(12(17)6-9)19-14-7-10(15)3-4-11(14)16/h2-7,18H,8H2,1H3
InChIKeyNTHZTGOASBOSQM-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-(5-bromo-2-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 114674362
1-[3-[(5-bromo-2-fluorophenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine
CID 107457986
1-[4-(4-chloro-2-methylphenoxy)-3-fluorophenyl]-N-methylmethanamine
CID 43283411
1-[4-(3,5-dichlorophenoxy)-3-fluorophenyl]-N-methylmethanamine
CID 43622080
1-[3-fluoro-4-(2,4,5-trichlorophenoxy)phenyl]-N-methylmethanamine
CID 43282453
N-[[4-(5-bromo-2-methylphenoxy)-3-fluorophenyl]methyl]propan-1-amine
CID 107285167
1-[4-(3,5-difluorophenoxy)-3-fluorophenyl]-N-methylmethanamine
CID 55112432
1-[4-(5-bromo-2-chlorophenoxy)-3-chlorophenyl]-N-methylmethanamine
CID 81154583
1-[3-chloro-4-(2,5-difluorophenoxy)phenyl]-N-methylmethanamine
CID 81155141
1-(5-bromo-2-fluorophenoxy)-4-(bromomethyl)-2-methylbenzene
CID 107089318
4-(5-bromo-2-fluorophenoxy)-3-fluoroaniline
CID 114671642
2-[4-(4-bromo-2-fluorophenoxy)-3-fluorophenyl]ethanamine
CID 55238749

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-bromo-2-fluorophenoxy)-3-fluorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(5-bromo-2-fluorophenoxy)-3-fluorophenyl]-N-methylmethanamine (CID 114674328) is 1-[4-(5-bromo-2-fluorophenoxy)-3-fluorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(5-bromo-2-fluorophenoxy)-3-fluorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(5-bromo-2-fluorophenoxy)-3-fluorophenyl]-N-methylmethanamine is CNCc1ccc(Oc2cc(Br)ccc2F)c(F)c1.
What is the InChIKey of 1-[4-(5-bromo-2-fluorophenoxy)-3-fluorophenyl]-N-methylmethanamine?
The InChIKey is NTHZTGOASBOSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2NO/c1-18-8-9-2-5-13(12(17)6-9)19-14-7-10(15)3-4-11(14)16/h2-7,18H,8H2,1H3.
What are the key properties of 1-[4-(5-bromo-2-fluorophenoxy)-3-fluorophenyl]-N-methylmethanamine?
1-[4-(5-bromo-2-fluorophenoxy)-3-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-[4-(5-bromo-2-fluorophenoxy)-3-fluorophenyl]-N-methylmethanamine is sourced from PubChem (CID 114674328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).