1-[3-[(2-bromo-4-chlorophenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine

C15H14BrClFNO — CID 107457535

IUPAC1-[3-[(2-bromo-4-chlorophenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine
SMILESCNCc1ccc(F)c(COc2ccc(Cl)cc2Br)c1
InChIInChI=1S/C15H14BrClFNO/c1-19-8-10-2-4-14(18)11(6-10)9-20-15-5-3-12(17)7-13(15)16/h2-7,19H,8-9H2,1H3
InChIKeyVEVYHEUMNGDRLY-UHFFFAOYSA-N
MW358.64 g/mol
LogP4.54
Rot. Bonds5

About 1-[3-[(2-bromo-4-chlorophenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine

1-[3-[(2-bromo-4-chlorophenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine (PubChem CID 107457535) has the molecular formula C15H14BrClFNO and a molecular weight of 358.64 g/mol. Its IUPAC name is 1-[3-[(2-bromo-4-chlorophenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[(2-bromo-4-chlorophenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine
PubChem CID107457535
Molecular FormulaC15H14BrClFNO
Molecular Weight358.64 g/mol
Exact Mass356.99
IUPAC Name1-[3-[(2-bromo-4-chlorophenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine
SMILESCNCc1ccc(F)c(COc2ccc(Cl)cc2Br)c1
InChIInChI=1S/C15H14BrClFNO/c1-19-8-10-2-4-14(18)11(6-10)9-20-15-5-3-12(17)7-13(15)16/h2-7,19H,8-9H2,1H3
InChIKeyVEVYHEUMNGDRLY-UHFFFAOYSA-N
XLogP4.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.64
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-[(5-bromo-2-fluorophenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine
CID 107457986
1-[3-[(2-bromo-4-chlorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 62459792
1-[3-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 63045148
1-[3-[(3-bromo-4-fluorophenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine
CID 107457922
1-[4-[(4-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 107686772
1-[3-[(3-chlorophenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine
CID 107457483
2-bromo-4-chloro-1-[(2-fluorophenyl)methoxy]benzene
CID 146003855
1-[4-[2-(2-bromo-4-chlorophenoxy)ethoxy]phenyl]-N-methylmethanamine
CID 62459974
1-[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 107686447
1-[[3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl]methyl]-2-phenylhydrazine
CID 169385134
1-[3-chloro-4-[(3,4-difluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 82918677
1-[3-[(2,5-dichlorophenyl)methoxy]-4-methoxyphenyl]-N-methylmethanamine
CID 65318650

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-bromo-4-chlorophenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-[(2-bromo-4-chlorophenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine (CID 107457535) is 1-[3-[(2-bromo-4-chlorophenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[(2-bromo-4-chlorophenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[(2-bromo-4-chlorophenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine is CNCc1ccc(F)c(COc2ccc(Cl)cc2Br)c1.
What is the InChIKey of 1-[3-[(2-bromo-4-chlorophenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine?
The InChIKey is VEVYHEUMNGDRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFNO/c1-19-8-10-2-4-14(18)11(6-10)9-20-15-5-3-12(17)7-13(15)16/h2-7,19H,8-9H2,1H3.
What are the key properties of 1-[3-[(2-bromo-4-chlorophenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine?
1-[3-[(2-bromo-4-chlorophenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine has a molecular weight of 358.64 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-bromo-4-chlorophenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine is sourced from PubChem (CID 107457535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).