1-[3-[(4-bromo-3-fluorophenoxy)methyl]phenyl]-N-methylmethanamine

C15H15BrFNO — CID 65201443

IUPAC1-[3-[(4-bromo-3-fluorophenoxy)methyl]phenyl]-N-methylmethanamine
SMILESCNCc1cccc(COc2ccc(Br)c(F)c2)c1
InChIInChI=1S/C15H15BrFNO/c1-18-9-11-3-2-4-12(7-11)10-19-13-5-6-14(16)15(17)8-13/h2-8,18H,9-10H2,1H3
InChIKeyAGHIZEDYVJRIST-UHFFFAOYSA-N
MW324.19 g/mol
LogP3.89
Rot. Bonds5

About 1-[3-[(4-bromo-3-fluorophenoxy)methyl]phenyl]-N-methylmethanamine

1-[3-[(4-bromo-3-fluorophenoxy)methyl]phenyl]-N-methylmethanamine (PubChem CID 65201443) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is 1-[3-[(4-bromo-3-fluorophenoxy)methyl]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[(4-bromo-3-fluorophenoxy)methyl]phenyl]-N-methylmethanamine
PubChem CID65201443
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name1-[3-[(4-bromo-3-fluorophenoxy)methyl]phenyl]-N-methylmethanamine
SMILESCNCc1cccc(COc2ccc(Br)c(F)c2)c1
InChIInChI=1S/C15H15BrFNO/c1-18-9-11-3-2-4-12(7-11)10-19-13-5-6-14(16)15(17)8-13/h2-8,18H,9-10H2,1H3
InChIKeyAGHIZEDYVJRIST-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 106262951
N-methyl-1-[3-[(3-methylphenoxy)methyl]phenyl]methanamine
CID 55077028
1-[4-[(3-bromophenyl)methoxy]phenyl]-N-methylmethanamine
CID 60880082
1-bromo-4-[(3,4-dimethylphenyl)methoxy]-2-fluorobenzene
CID 65202941
1-[3-[(4-bromo-2-fluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 60880914
N-methyl-1-[3-[(4-propylphenoxy)methyl]phenyl]methanamine
CID 62548589
1-[3-[(3-bromo-4-fluorophenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine
CID 107457922
1-[3-[(2-bromo-4-chlorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 62459792
1-[3-(3-bromo-4-fluorophenoxy)phenyl]-N-methylmethanamine
CID 83234561
1-[3-[(2,5-dibromo-4-methoxyphenoxy)methyl]phenyl]-N-methylmethanamine
CID 79406092
N-[[3-[(3-bromo-4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 83233513
1-[3-[(2,3-difluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 43658767

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-bromo-3-fluorophenoxy)methyl]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-[(4-bromo-3-fluorophenoxy)methyl]phenyl]-N-methylmethanamine (CID 65201443) is 1-[3-[(4-bromo-3-fluorophenoxy)methyl]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[(4-bromo-3-fluorophenoxy)methyl]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[(4-bromo-3-fluorophenoxy)methyl]phenyl]-N-methylmethanamine is CNCc1cccc(COc2ccc(Br)c(F)c2)c1.
What is the InChIKey of 1-[3-[(4-bromo-3-fluorophenoxy)methyl]phenyl]-N-methylmethanamine?
The InChIKey is AGHIZEDYVJRIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c1-18-9-11-3-2-4-12(7-11)10-19-13-5-6-14(16)15(17)8-13/h2-8,18H,9-10H2,1H3.
What are the key properties of 1-[3-[(4-bromo-3-fluorophenoxy)methyl]phenyl]-N-methylmethanamine?
1-[3-[(4-bromo-3-fluorophenoxy)methyl]phenyl]-N-methylmethanamine has a molecular weight of 324.19 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-bromo-3-fluorophenoxy)methyl]phenyl]-N-methylmethanamine is sourced from PubChem (CID 65201443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).