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

C15H14BrClFNO — CID 107885526

IUPAC2-[3-bromo-4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine
SMILESNCCc1ccc(OCc2ccc(Cl)c(F)c2)c(Br)c1
InChIInChI=1S/C15H14BrClFNO/c16-12-7-10(5-6-19)2-4-15(12)20-9-11-1-3-13(17)14(18)8-11/h1-4,7-8H,5-6,9,19H2
InChIKeyWMHCKKQYIUFEET-UHFFFAOYSA-N
MW358.64 g/mol
LogP4.32
Rot. Bonds5

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

2-[3-bromo-4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine (PubChem CID 107885526) has the molecular formula C15H14BrClFNO and a molecular weight of 358.64 g/mol. Its IUPAC name is 2-[3-bromo-4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-bromo-4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine
PubChem CID107885526
Molecular FormulaC15H14BrClFNO
Molecular Weight358.64 g/mol
Exact Mass356.99
IUPAC Name2-[3-bromo-4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine
SMILESNCCc1ccc(OCc2ccc(Cl)c(F)c2)c(Br)c1
InChIInChI=1S/C15H14BrClFNO/c16-12-7-10(5-6-19)2-4-15(12)20-9-11-1-3-13(17)14(18)8-11/h1-4,7-8H,5-6,9,19H2
InChIKeyWMHCKKQYIUFEET-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-bromo-4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]methanamine
CID 107879157
2-[4-[(3-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine
CID 107692866
2-[3-bromo-4-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanamine
CID 63422162
2-bromo-4-[(4-chloro-3-fluorophenoxy)methyl]-1-methoxybenzene
CID 82716215
2-(3-bromo-4-chlorophenyl)ethanamine
CID 68561444
2-[2-[(3-bromo-4-fluorophenyl)methoxy]-6-chlorophenyl]ethanamine
CID 114321473
2-bromo-1-[(3-bromo-4-fluorophenyl)methoxy]-4-(chloromethyl)benzene
CID 63534718
[4-[(3,4-dichlorophenyl)methoxy]-3-fluorophenyl]methanamine
CID 107686337
5-[(2-bromo-4-chlorophenoxy)methyl]-2-chloroaniline
CID 43349955
2-[4-[(3-bromo-4-fluorophenyl)methoxy]-3,5-difluorophenyl]ethanamine
CID 79882250
2-[4-(2-bromo-4-fluorophenoxy)-3-chlorophenyl]ethanamine
CID 81166401
2-bromo-1-[(3-bromo-4-fluorophenyl)methoxy]-4-fluorobenzene
CID 55219072

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine?
The IUPAC name of 2-[3-bromo-4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine (CID 107885526) is 2-[3-bromo-4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[3-bromo-4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for 2-[3-bromo-4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine is NCCc1ccc(OCc2ccc(Cl)c(F)c2)c(Br)c1.
What is the InChIKey of 2-[3-bromo-4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine?
The InChIKey is WMHCKKQYIUFEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFNO/c16-12-7-10(5-6-19)2-4-15(12)20-9-11-1-3-13(17)14(18)8-11/h1-4,7-8H,5-6,9,19H2.
What are the key properties of 2-[3-bromo-4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine?
2-[3-bromo-4-[(4-chloro-3-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-4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 107885526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).