2-[2-[(5-bromo-2-fluorophenyl)methoxy]-5-chlorophenyl]ethanamine

C15H14BrClFNO — CID 60904821

IUPAC2-[2-[(5-bromo-2-fluorophenyl)methoxy]-5-chlorophenyl]ethanamine
SMILESNCCc1cc(Cl)ccc1OCc1cc(Br)ccc1F
InChIInChI=1S/C15H14BrClFNO/c16-12-1-3-14(18)11(7-12)9-20-15-4-2-13(17)8-10(15)5-6-19/h1-4,7-8H,5-6,9,19H2
InChIKeyRYBRQQXNUNFMBC-UHFFFAOYSA-N
MW358.64 g/mol
LogP4.32
Rot. Bonds5

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

2-[2-[(5-bromo-2-fluorophenyl)methoxy]-5-chlorophenyl]ethanamine (PubChem CID 60904821) has the molecular formula C15H14BrClFNO and a molecular weight of 358.64 g/mol. Its IUPAC name is 2-[2-[(5-bromo-2-fluorophenyl)methoxy]-5-chlorophenyl]ethanamine.

Molecular Properties

Compound Name2-[2-[(5-bromo-2-fluorophenyl)methoxy]-5-chlorophenyl]ethanamine
PubChem CID60904821
Molecular FormulaC15H14BrClFNO
Molecular Weight358.64 g/mol
Exact Mass356.99
IUPAC Name2-[2-[(5-bromo-2-fluorophenyl)methoxy]-5-chlorophenyl]ethanamine
SMILESNCCc1cc(Cl)ccc1OCc1cc(Br)ccc1F
InChIInChI=1S/C15H14BrClFNO/c16-12-1-3-14(18)11(7-12)9-20-15-4-2-13(17)8-10(15)5-6-19/h1-4,7-8H,5-6,9,19H2
InChIKeyRYBRQQXNUNFMBC-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-[5-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine
CID 102619479
2-[2-(4-bromo-2-fluorophenoxy)-5-chlorophenyl]ethanamine
CID 114862686
2-[2-[(2,5-difluorophenyl)methoxy]-5-fluorophenyl]ethanamine
CID 107700281
[5-bromo-2-[(2,5-dichlorophenyl)methoxy]phenyl]methanamine
CID 65318162
2-[5-bromo-2-[(2,3-dichlorophenyl)methoxy]phenyl]ethanamine
CID 107309269
2-[4-[(5-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine
CID 107692530
2-[(5-bromo-2-fluorophenyl)methoxy]-5-chlorobenzaldehyde
CID 43324795
2-[3,5-dibromo-4-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethanamine
CID 107739499
1-[5-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 63421430
[3-[(4-bromo-2-chlorophenoxy)methyl]-4-fluorophenyl]methanamine
CID 43531259
2-[5-bromo-2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]ethanamine
CID 104794308
(1R)-1-[4-bromo-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine
CID 103046500

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-bromo-2-fluorophenyl)methoxy]-5-chlorophenyl]ethanamine?
The IUPAC name of 2-[2-[(5-bromo-2-fluorophenyl)methoxy]-5-chlorophenyl]ethanamine (CID 60904821) is 2-[2-[(5-bromo-2-fluorophenyl)methoxy]-5-chlorophenyl]ethanamine.
What is the SMILES notation for 2-[2-[(5-bromo-2-fluorophenyl)methoxy]-5-chlorophenyl]ethanamine?
The canonical SMILES for 2-[2-[(5-bromo-2-fluorophenyl)methoxy]-5-chlorophenyl]ethanamine is NCCc1cc(Cl)ccc1OCc1cc(Br)ccc1F.
What is the InChIKey of 2-[2-[(5-bromo-2-fluorophenyl)methoxy]-5-chlorophenyl]ethanamine?
The InChIKey is RYBRQQXNUNFMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFNO/c16-12-1-3-14(18)11(7-12)9-20-15-4-2-13(17)8-10(15)5-6-19/h1-4,7-8H,5-6,9,19H2.
What are the key properties of 2-[2-[(5-bromo-2-fluorophenyl)methoxy]-5-chlorophenyl]ethanamine?
2-[2-[(5-bromo-2-fluorophenyl)methoxy]-5-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-[(5-bromo-2-fluorophenyl)methoxy]-5-chlorophenyl]ethanamine is sourced from PubChem (CID 60904821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).