1-[3-bromo-4-[(2-fluorophenoxy)methyl]phenyl]-N-methylmethanamine

C15H15BrFNO — CID 102772944

IUPAC1-[3-bromo-4-[(2-fluorophenoxy)methyl]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(COc2ccccc2F)c(Br)c1
InChIInChI=1S/C15H15BrFNO/c1-18-9-11-6-7-12(13(16)8-11)10-19-15-5-3-2-4-14(15)17/h2-8,18H,9-10H2,1H3
InChIKeyPSKXRGOVMRUILE-UHFFFAOYSA-N
MW324.19 g/mol
LogP3.89
Rot. Bonds5

About 1-[3-bromo-4-[(2-fluorophenoxy)methyl]phenyl]-N-methylmethanamine

1-[3-bromo-4-[(2-fluorophenoxy)methyl]phenyl]-N-methylmethanamine (PubChem CID 102772944) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is 1-[3-bromo-4-[(2-fluorophenoxy)methyl]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-bromo-4-[(2-fluorophenoxy)methyl]phenyl]-N-methylmethanamine
PubChem CID102772944
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name1-[3-bromo-4-[(2-fluorophenoxy)methyl]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(COc2ccccc2F)c(Br)c1
InChIInChI=1S/C15H15BrFNO/c1-18-9-11-6-7-12(13(16)8-11)10-19-15-5-3-2-4-14(15)17/h2-8,18H,9-10H2,1H3
InChIKeyPSKXRGOVMRUILE-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-bromo-4-[(4-fluoro-2-methylphenoxy)methyl]phenyl]-N-methylmethanamine
CID 102773941
1-[3-bromo-4-[(2,3-dimethylphenoxy)methyl]phenyl]-N-methylmethanamine
CID 102772902
1-[3-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 63045148
1-[3-bromo-4-[(2-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 63045660
1-[3-[(5-bromo-2-fluorophenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine
CID 107457986
1-[4-[(2,3-difluorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 107686784
1-[3-[(2-bromo-4-chlorophenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine
CID 107457535
N-[[3-bromo-4-[(2-bromophenoxy)methyl]phenyl]methyl]propan-1-amine
CID 102772693
1-[3-bromo-4-[(3,4-dimethylphenoxy)methyl]phenyl]-N-methylmethanamine
CID 102773000
1-[4-[(4-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 107686772
1-[3-bromo-4-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 55145987
N-[[4-[(2-bromophenyl)methoxy]-3-fluorophenyl]methyl]propan-2-amine
CID 107687726

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-[(2-fluorophenoxy)methyl]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-bromo-4-[(2-fluorophenoxy)methyl]phenyl]-N-methylmethanamine (CID 102772944) is 1-[3-bromo-4-[(2-fluorophenoxy)methyl]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-bromo-4-[(2-fluorophenoxy)methyl]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-bromo-4-[(2-fluorophenoxy)methyl]phenyl]-N-methylmethanamine is CNCc1ccc(COc2ccccc2F)c(Br)c1.
What is the InChIKey of 1-[3-bromo-4-[(2-fluorophenoxy)methyl]phenyl]-N-methylmethanamine?
The InChIKey is PSKXRGOVMRUILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c1-18-9-11-6-7-12(13(16)8-11)10-19-15-5-3-2-4-14(15)17/h2-8,18H,9-10H2,1H3.
What are the key properties of 1-[3-bromo-4-[(2-fluorophenoxy)methyl]phenyl]-N-methylmethanamine?
1-[3-bromo-4-[(2-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-bromo-4-[(2-fluorophenoxy)methyl]phenyl]-N-methylmethanamine is sourced from PubChem (CID 102772944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).