2-[5-bromo-2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]ethanamine

C16H17BrFNO2 — CID 104794308

IUPAC2-[5-bromo-2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]ethanamine
SMILESCOc1cccc(COc2ccc(Br)cc2CCN)c1F
InChIInChI=1S/C16H17BrFNO2/c1-20-15-4-2-3-12(16(15)18)10-21-14-6-5-13(17)9-11(14)7-8-19/h2-6,9H,7-8,10,19H2,1H3
InChIKeyAYRCIXRXLAPCHI-UHFFFAOYSA-N
MW354.22 g/mol
LogP3.68
Rot. Bonds6

About 2-[5-bromo-2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]ethanamine

2-[5-bromo-2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]ethanamine (PubChem CID 104794308) has the molecular formula C16H17BrFNO2 and a molecular weight of 354.22 g/mol. Its IUPAC name is 2-[5-bromo-2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[5-bromo-2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]ethanamine
PubChem CID104794308
Molecular FormulaC16H17BrFNO2
Molecular Weight354.22 g/mol
Exact Mass353.04
IUPAC Name2-[5-bromo-2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]ethanamine
SMILESCOc1cccc(COc2ccc(Br)cc2CCN)c1F
InChIInChI=1S/C16H17BrFNO2/c1-20-15-4-2-3-12(16(15)18)10-21-14-6-5-13(17)9-11(14)7-8-19/h2-6,9H,7-8,10,19H2,1H3
InChIKeyAYRCIXRXLAPCHI-UHFFFAOYSA-N
XLogP3.68
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.22
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-bromo-2-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 60905993
2-[5-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine
CID 102619479
[5-chloro-2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]methanamine
CID 104791271
2-[3-chloro-4-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]ethanamine
CID 104794314
2-[5-bromo-2-[(2,3-dichlorophenyl)methoxy]phenyl]ethanamine
CID 107309269
2-[2-[(3-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethanamine
CID 107699919
2-[2-[(5-bromo-2-fluorophenyl)methoxy]-5-chlorophenyl]ethanamine
CID 60904821
[5-bromo-2-[(2-fluoro-3-methoxyphenyl)methoxy]-3-methylphenyl]methanamine
CID 104791340
1-[(2-ethylphenoxy)methyl]-2-fluoro-3-methoxybenzene
CID 104795197
4-bromo-2-(chloromethyl)-1-[(2-methoxyphenyl)methoxy]benzene
CID 55225136
2-[2-[(2,5-difluorophenyl)methoxy]-5-fluorophenyl]ethanamine
CID 107700281
2-[(5-bromo-2-methoxyphenyl)methoxy]-1,4-difluorobenzene
CID 63458235

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]ethanamine?
The IUPAC name of 2-[5-bromo-2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]ethanamine (CID 104794308) is 2-[5-bromo-2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[5-bromo-2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for 2-[5-bromo-2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]ethanamine is COc1cccc(COc2ccc(Br)cc2CCN)c1F.
What is the InChIKey of 2-[5-bromo-2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]ethanamine?
The InChIKey is AYRCIXRXLAPCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO2/c1-20-15-4-2-3-12(16(15)18)10-21-14-6-5-13(17)9-11(14)7-8-19/h2-6,9H,7-8,10,19H2,1H3.
What are the key properties of 2-[5-bromo-2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]ethanamine?
2-[5-bromo-2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]ethanamine has a molecular weight of 354.22 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 104794308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).