2-[3-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine

C15H14BrClFNO — CID 114857497

IUPAC2-[3-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine
SMILESNCCc1cccc(Br)c1OCc1ccc(Cl)cc1F
InChIInChI=1S/C15H14BrClFNO/c16-13-3-1-2-10(6-7-19)15(13)20-9-11-4-5-12(17)8-14(11)18/h1-5,8H,6-7,9,19H2
InChIKeyTUVZZZZEIHKVDD-UHFFFAOYSA-N
MW358.64 g/mol
LogP4.32
Rot. Bonds5

About 2-[3-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine

2-[3-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine (PubChem CID 114857497) has the molecular formula C15H14BrClFNO and a molecular weight of 358.64 g/mol. Its IUPAC name is 2-[3-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine
PubChem CID114857497
Molecular FormulaC15H14BrClFNO
Molecular Weight358.64 g/mol
Exact Mass356.99
IUPAC Name2-[3-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine
SMILESNCCc1cccc(Br)c1OCc1ccc(Cl)cc1F
InChIInChI=1S/C15H14BrClFNO/c16-13-3-1-2-10(6-7-19)15(13)20-9-11-4-5-12(17)8-14(11)18/h1-5,8H,6-7,9,19H2
InChIKeyTUVZZZZEIHKVDD-UHFFFAOYSA-N
XLogP4.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.64
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-(2-aminoethyl)-6-bromophenoxy]methyl]-4-fluorobenzonitrile
CID 61392006
[2-[(4-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]methanamine
CID 114848317
[3-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methanamine
CID 61389545
1-bromo-3-(chloromethyl)-2-[(2-fluoro-4-methoxyphenyl)methoxy]benzene
CID 102877189
2-[3,5-dibromo-4-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 107739433
2-(3-bromo-2-ethoxyphenyl)ethanamine
CID 61391880
1-(bromomethyl)-2-[(4-chloro-2-fluorophenyl)methoxy]-3-methylbenzene
CID 114850389
2-[2-[(3-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine
CID 115957934
2-[2-[(2-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine
CID 115984055
[2-[(4-bromo-2-fluorophenyl)methoxy]-3-chlorophenyl]methanamine
CID 112607867
1-bromo-2-[(2-chloro-3-fluorophenyl)methoxy]-3-(chloromethyl)benzene
CID 112652534
2-[3,5-dichloro-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine
CID 103049271

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine?
The IUPAC name of 2-[3-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine (CID 114857497) is 2-[3-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[3-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for 2-[3-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine is NCCc1cccc(Br)c1OCc1ccc(Cl)cc1F.
What is the InChIKey of 2-[3-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine?
The InChIKey is TUVZZZZEIHKVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFNO/c16-13-3-1-2-10(6-7-19)15(13)20-9-11-4-5-12(17)8-14(11)18/h1-5,8H,6-7,9,19H2.
What are the key properties of 2-[3-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine?
2-[3-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine has a molecular weight of 358.64 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 114857497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).