2-[5-bromo-2-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanamine

C16H17BrFNO2 — CID 60905993

IUPAC2-[5-bromo-2-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanamine
SMILESCOc1ccc(COc2ccc(Br)cc2CCN)cc1F
InChIInChI=1S/C16H17BrFNO2/c1-20-16-4-2-11(8-14(16)18)10-21-15-5-3-13(17)9-12(15)6-7-19/h2-5,8-9H,6-7,10,19H2,1H3
InChIKeyLAAPWVZKBCITHW-UHFFFAOYSA-N
MW354.22 g/mol
LogP3.68
Rot. Bonds6

About 2-[5-bromo-2-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanamine

2-[5-bromo-2-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanamine (PubChem CID 60905993) has the molecular formula C16H17BrFNO2 and a molecular weight of 354.22 g/mol. Its IUPAC name is 2-[5-bromo-2-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[5-bromo-2-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanamine
PubChem CID60905993
Molecular FormulaC16H17BrFNO2
Molecular Weight354.22 g/mol
Exact Mass353.04
IUPAC Name2-[5-bromo-2-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanamine
SMILESCOc1ccc(COc2ccc(Br)cc2CCN)cc1F
InChIInChI=1S/C16H17BrFNO2/c1-20-16-4-2-11(8-14(16)18)10-21-15-5-3-13(17)9-12(15)6-7-19/h2-5,8-9H,6-7,10,19H2,1H3
InChIKeyLAAPWVZKBCITHW-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-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]ethanamine
CID 104794308
[3-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methoxyphenyl]methanamine
CID 43332360
2-[2-[(5-bromo-2-fluorophenyl)methoxy]-5-chlorophenyl]ethanamine
CID 60904821
4-[(3-bromophenoxy)methyl]-2-fluoro-1-methoxybenzene
CID 43089834
2-[5-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine
CID 102619479
5-[(4-bromo-2-fluorophenoxy)methyl]-2-methoxybenzenecarbothioamide
CID 65344049
2-[5-bromo-2-[(4-nitrophenyl)methoxy]phenyl]ethanamine
CID 60904816
[5-bromo-2-[(3,4-difluorophenyl)methoxy]phenyl]methanol
CID 78993100
[5-bromo-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]methanamine
CID 103037777
2-[2-[(3-bromophenyl)methoxy]-5-methylphenyl]ethanamine
CID 63325848
2-[4-[(3-bromophenyl)methoxy]-3-methoxyphenyl]ethanamine
CID 60906008
4-[(3-fluoro-4-methoxyphenyl)methoxy]aniline
CID 43154828

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-2-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanamine?
The IUPAC name of 2-[5-bromo-2-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanamine (CID 60905993) is 2-[5-bromo-2-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[5-bromo-2-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for 2-[5-bromo-2-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanamine is COc1ccc(COc2ccc(Br)cc2CCN)cc1F.
What is the InChIKey of 2-[5-bromo-2-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanamine?
The InChIKey is LAAPWVZKBCITHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO2/c1-20-16-4-2-11(8-14(16)18)10-21-15-5-3-13(17)9-12(15)6-7-19/h2-5,8-9H,6-7,10,19H2,1H3.
What are the key properties of 2-[5-bromo-2-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanamine?
2-[5-bromo-2-[(3-fluoro-4-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-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 60905993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).