1-[2-[(5-bromo-2-fluorophenoxy)methyl]phenyl]-N-methylmethanamine

C15H15BrFNO — CID 114676917

IUPAC1-[2-[(5-bromo-2-fluorophenoxy)methyl]phenyl]-N-methylmethanamine
SMILESCNCc1ccccc1COc1cc(Br)ccc1F
InChIInChI=1S/C15H15BrFNO/c1-18-9-11-4-2-3-5-12(11)10-19-15-8-13(16)6-7-14(15)17/h2-8,18H,9-10H2,1H3
InChIKeyVKYHPJSXFSEZSJ-UHFFFAOYSA-N
MW324.19 g/mol
LogP3.89
Rot. Bonds5

About 1-[2-[(5-bromo-2-fluorophenoxy)methyl]phenyl]-N-methylmethanamine

1-[2-[(5-bromo-2-fluorophenoxy)methyl]phenyl]-N-methylmethanamine (PubChem CID 114676917) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is 1-[2-[(5-bromo-2-fluorophenoxy)methyl]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(5-bromo-2-fluorophenoxy)methyl]phenyl]-N-methylmethanamine
PubChem CID114676917
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name1-[2-[(5-bromo-2-fluorophenoxy)methyl]phenyl]-N-methylmethanamine
SMILESCNCc1ccccc1COc1cc(Br)ccc1F
InChIInChI=1S/C15H15BrFNO/c1-18-9-11-4-2-3-5-12(11)10-19-15-8-13(16)6-7-14(15)17/h2-8,18H,9-10H2,1H3
InChIKeyVKYHPJSXFSEZSJ-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-[[2-[(5-bromo-2-fluorophenoxy)methyl]phenyl]methyl]ethanamine
CID 114676831
1-[3-[(5-bromo-2-fluorophenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine
CID 107457986
4-bromo-2-[(2-bromophenyl)methoxy]-1-fluorobenzene
CID 114672951
2-[2-[(5-bromo-2-fluorophenoxy)methyl]phenyl]-N-ethylethanamine
CID 114676958
N-[[2-[(4-bromo-2-fluorophenoxy)methyl]phenyl]methyl]propan-2-amine
CID 62484259
1-[2-[(5-bromo-2-fluorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 115952475
1-[2-[(3-bromo-5-fluorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 81325621
1-[4-bromo-2-[(2-fluorophenyl)methoxy]phenyl]-N-methylethanamine
CID 82975373
1-[2-(5-bromo-2-fluorophenyl)phenyl]-N-methylmethanamine
CID 79743234
[2-[(4-bromo-2-fluorophenoxy)methyl]phenyl]methanamine
CID 43531303
1-[2-(5-bromo-2-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 114674362
1-[(5-bromo-2-fluorophenoxy)methyl]-4-chloro-2-fluorobenzene
CID 114849366

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-bromo-2-fluorophenoxy)methyl]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(5-bromo-2-fluorophenoxy)methyl]phenyl]-N-methylmethanamine (CID 114676917) is 1-[2-[(5-bromo-2-fluorophenoxy)methyl]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(5-bromo-2-fluorophenoxy)methyl]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(5-bromo-2-fluorophenoxy)methyl]phenyl]-N-methylmethanamine is CNCc1ccccc1COc1cc(Br)ccc1F.
What is the InChIKey of 1-[2-[(5-bromo-2-fluorophenoxy)methyl]phenyl]-N-methylmethanamine?
The InChIKey is VKYHPJSXFSEZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c1-18-9-11-4-2-3-5-12(11)10-19-15-8-13(16)6-7-14(15)17/h2-8,18H,9-10H2,1H3.
What are the key properties of 1-[2-[(5-bromo-2-fluorophenoxy)methyl]phenyl]-N-methylmethanamine?
1-[2-[(5-bromo-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-[2-[(5-bromo-2-fluorophenoxy)methyl]phenyl]-N-methylmethanamine is sourced from PubChem (CID 114676917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).