2-[2-[(3-bromo-4-fluorophenyl)methoxy]-6-chlorophenyl]ethanamine

C15H14BrClFNO — CID 114321473

IUPAC2-[2-[(3-bromo-4-fluorophenyl)methoxy]-6-chlorophenyl]ethanamine
SMILESNCCc1c(Cl)cccc1OCc1ccc(F)c(Br)c1
InChIInChI=1S/C15H14BrClFNO/c16-12-8-10(4-5-14(12)18)9-20-15-3-1-2-13(17)11(15)6-7-19/h1-5,8H,6-7,9,19H2
InChIKeyPBJPFWDHQGWPNI-UHFFFAOYSA-N
MW358.64 g/mol
LogP4.32
Rot. Bonds5

About 2-[2-[(3-bromo-4-fluorophenyl)methoxy]-6-chlorophenyl]ethanamine

2-[2-[(3-bromo-4-fluorophenyl)methoxy]-6-chlorophenyl]ethanamine (PubChem CID 114321473) has the molecular formula C15H14BrClFNO and a molecular weight of 358.64 g/mol. Its IUPAC name is 2-[2-[(3-bromo-4-fluorophenyl)methoxy]-6-chlorophenyl]ethanamine.

Molecular Properties

Compound Name2-[2-[(3-bromo-4-fluorophenyl)methoxy]-6-chlorophenyl]ethanamine
PubChem CID114321473
Molecular FormulaC15H14BrClFNO
Molecular Weight358.64 g/mol
Exact Mass356.99
IUPAC Name2-[2-[(3-bromo-4-fluorophenyl)methoxy]-6-chlorophenyl]ethanamine
SMILESNCCc1c(Cl)cccc1OCc1ccc(F)c(Br)c1
InChIInChI=1S/C15H14BrClFNO/c16-12-8-10(4-5-14(12)18)9-20-15-3-1-2-13(17)11(15)6-7-19/h1-5,8H,6-7,9,19H2
InChIKeyPBJPFWDHQGWPNI-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-[(3-bromo-4-fluorophenyl)methoxy]-6-chlorophenyl]methanol
CID 114320554
2-[2-[(3-bromophenyl)methoxy]-6-chlorophenyl]ethanamine
CID 114321655
2-[2-[(3-bromo-2,6-difluorophenyl)methoxy]-6-chlorophenyl]ethanamine
CID 106269272
2-[2-[(4-bromo-2-fluorophenyl)methoxy]-6-chlorophenyl]ethanamine
CID 114321633
2-[4-[(3-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine
CID 107692866
1-[(3-bromo-4-fluorophenyl)methoxy]-2,3-difluorobenzene
CID 63457062
2-bromo-1-[(3-bromo-4-fluorophenyl)methoxy]-4-fluorobenzene
CID 55219072
2-[3-bromo-4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine
CID 107885526
5-[[2-(bromomethyl)-3-chlorophenoxy]methyl]-2-fluorobenzonitrile
CID 107882638
2-[2-[(3-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine
CID 115957934
2-bromo-1-[(3-bromo-4-fluorophenyl)methoxy]-4-(chloromethyl)benzene
CID 63534718
2-[2-chloro-6-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine
CID 102878213

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-bromo-4-fluorophenyl)methoxy]-6-chlorophenyl]ethanamine?
The IUPAC name of 2-[2-[(3-bromo-4-fluorophenyl)methoxy]-6-chlorophenyl]ethanamine (CID 114321473) is 2-[2-[(3-bromo-4-fluorophenyl)methoxy]-6-chlorophenyl]ethanamine.
What is the SMILES notation for 2-[2-[(3-bromo-4-fluorophenyl)methoxy]-6-chlorophenyl]ethanamine?
The canonical SMILES for 2-[2-[(3-bromo-4-fluorophenyl)methoxy]-6-chlorophenyl]ethanamine is NCCc1c(Cl)cccc1OCc1ccc(F)c(Br)c1.
What is the InChIKey of 2-[2-[(3-bromo-4-fluorophenyl)methoxy]-6-chlorophenyl]ethanamine?
The InChIKey is PBJPFWDHQGWPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFNO/c16-12-8-10(4-5-14(12)18)9-20-15-3-1-2-13(17)11(15)6-7-19/h1-5,8H,6-7,9,19H2.
What are the key properties of 2-[2-[(3-bromo-4-fluorophenyl)methoxy]-6-chlorophenyl]ethanamine?
2-[2-[(3-bromo-4-fluorophenyl)methoxy]-6-chlorophenyl]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-[2-[(3-bromo-4-fluorophenyl)methoxy]-6-chlorophenyl]ethanamine is sourced from PubChem (CID 114321473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).