1-[3-[(4-bromo-2-fluorophenyl)methoxy]phenyl]-N-methylmethanamine

C15H15BrFNO — CID 60880914

IUPAC1-[3-[(4-bromo-2-fluorophenyl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cccc(OCc2ccc(Br)cc2F)c1
InChIInChI=1S/C15H15BrFNO/c1-18-9-11-3-2-4-14(7-11)19-10-12-5-6-13(16)8-15(12)17/h2-8,18H,9-10H2,1H3
InChIKeyMRZXLSHRFHSKPS-UHFFFAOYSA-N
MW324.19 g/mol
LogP3.89
Rot. Bonds5

About 1-[3-[(4-bromo-2-fluorophenyl)methoxy]phenyl]-N-methylmethanamine

1-[3-[(4-bromo-2-fluorophenyl)methoxy]phenyl]-N-methylmethanamine (PubChem CID 60880914) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is 1-[3-[(4-bromo-2-fluorophenyl)methoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[(4-bromo-2-fluorophenyl)methoxy]phenyl]-N-methylmethanamine
PubChem CID60880914
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name1-[3-[(4-bromo-2-fluorophenyl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cccc(OCc2ccc(Br)cc2F)c1
InChIInChI=1S/C15H15BrFNO/c1-18-9-11-3-2-4-14(7-11)19-10-12-5-6-13(16)8-15(12)17/h2-8,18H,9-10H2,1H3
InChIKeyMRZXLSHRFHSKPS-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

N-[[3-[(4-bromo-2-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 63501140
4-bromo-1-[[3-(chloromethyl)phenoxy]methyl]-2-fluorobenzene
CID 43438767
1-[3-[(2,3-difluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 43658767
1-[3-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 106262951
4-bromo-2-fluoro-1-[[3-(trifluoromethyl)phenoxy]methyl]benzene
CID 60628071
N-methyl-1-[3-[(2-methylphenyl)methoxy]phenyl]methanamine
CID 19744687
1-[3-[(4-bromo-3-fluorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 65201443
1-(4-bromo-2-fluorophenyl)-N-methylmethanamine
CID 43090177
1-[3-[(5-bromo-3-pyridinyl)methoxy]phenyl]-N-methylmethanamine
CID 113454072
1-[3-[(3-chlorophenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine
CID 107457483
4-bromo-2-fluoro-1-[(3-fluoro-4-methylphenoxy)methyl]benzene
CID 107170184
1-[3-[(2-chlorophenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride
CID 17290694

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-bromo-2-fluorophenyl)methoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-[(4-bromo-2-fluorophenyl)methoxy]phenyl]-N-methylmethanamine (CID 60880914) is 1-[3-[(4-bromo-2-fluorophenyl)methoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[(4-bromo-2-fluorophenyl)methoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[(4-bromo-2-fluorophenyl)methoxy]phenyl]-N-methylmethanamine is CNCc1cccc(OCc2ccc(Br)cc2F)c1.
What is the InChIKey of 1-[3-[(4-bromo-2-fluorophenyl)methoxy]phenyl]-N-methylmethanamine?
The InChIKey is MRZXLSHRFHSKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c1-18-9-11-3-2-4-14(7-11)19-10-12-5-6-13(16)8-15(12)17/h2-8,18H,9-10H2,1H3.
What are the key properties of 1-[3-[(4-bromo-2-fluorophenyl)methoxy]phenyl]-N-methylmethanamine?
1-[3-[(4-bromo-2-fluorophenyl)methoxy]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-2-fluorophenyl)methoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 60880914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).