2-[5-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine

C15H14BrClFNO — CID 102619479

IUPAC2-[5-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine
SMILESNCCc1cc(Br)ccc1OCc1cc(F)ccc1Cl
InChIInChI=1S/C15H14BrClFNO/c16-12-1-4-15(10(7-12)5-6-19)20-9-11-8-13(18)2-3-14(11)17/h1-4,7-8H,5-6,9,19H2
InChIKeyRGYPXBGIWQMOFI-UHFFFAOYSA-N
MW358.64 g/mol
LogP4.32
Rot. Bonds5

About 2-[5-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine

2-[5-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine (PubChem CID 102619479) has the molecular formula C15H14BrClFNO and a molecular weight of 358.64 g/mol. Its IUPAC name is 2-[5-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[5-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine
PubChem CID102619479
Molecular FormulaC15H14BrClFNO
Molecular Weight358.64 g/mol
Exact Mass356.99
IUPAC Name2-[5-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine
SMILESNCCc1cc(Br)ccc1OCc1cc(F)ccc1Cl
InChIInChI=1S/C15H14BrClFNO/c16-12-1-4-15(10(7-12)5-6-19)20-9-11-8-13(18)2-3-14(11)17/h1-4,7-8H,5-6,9,19H2
InChIKeyRGYPXBGIWQMOFI-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

2-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-1-chloro-4-fluorobenzene
CID 102616579
2-[2-[(5-bromo-2-fluorophenyl)methoxy]-5-chlorophenyl]ethanamine
CID 60904821
2-[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine
CID 102619496
[2-[(4-bromo-2-chlorophenyl)methoxy]-5-fluorophenyl]methanamine
CID 107694697
[5-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methanamine
CID 60879629
2-[2-[(2,5-difluorophenyl)methoxy]-5-fluorophenyl]ethanamine
CID 107700281
[5-bromo-2-[(2,5-dichlorophenyl)methoxy]phenyl]methanamine
CID 65318162
2-[2-[(3-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethanamine
CID 107699919
2-[5-bromo-2-[(2,3-dichlorophenyl)methoxy]phenyl]ethanamine
CID 107309269
(1R)-1-[5-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine
CID 102615238
2-[5-bromo-2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]ethanamine
CID 104794308
1-[5-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanol
CID 102616484

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine?
The IUPAC name of 2-[5-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine (CID 102619479) is 2-[5-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[5-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for 2-[5-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine is NCCc1cc(Br)ccc1OCc1cc(F)ccc1Cl.
What is the InChIKey of 2-[5-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine?
The InChIKey is RGYPXBGIWQMOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFNO/c16-12-1-4-15(10(7-12)5-6-19)20-9-11-8-13(18)2-3-14(11)17/h1-4,7-8H,5-6,9,19H2.
What are the key properties of 2-[5-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine?
2-[5-bromo-2-[(2-chloro-5-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-[5-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 102619479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).