1-[4-bromo-2-(2-fluoroethoxy)phenyl]ethanamine

C10H13BrFNO — CID 102946431

IUPAC1-[4-bromo-2-(2-fluoroethoxy)phenyl]ethanamine
SMILESCC(N)c1ccc(Br)cc1OCCF
InChIInChI=1S/C10H13BrFNO/c1-7(13)9-3-2-8(11)6-10(9)14-5-4-12/h2-3,6-7H,4-5,13H2,1H3
InChIKeyZXMUMOJODLOUEX-UHFFFAOYSA-N
MW262.12 g/mol
LogP2.82
Rot. Bonds4

About 1-[4-bromo-2-(2-fluoroethoxy)phenyl]ethanamine

1-[4-bromo-2-(2-fluoroethoxy)phenyl]ethanamine (PubChem CID 102946431) has the molecular formula C10H13BrFNO and a molecular weight of 262.12 g/mol. Its IUPAC name is 1-[4-bromo-2-(2-fluoroethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-bromo-2-(2-fluoroethoxy)phenyl]ethanamine
PubChem CID102946431
Molecular FormulaC10H13BrFNO
Molecular Weight262.12 g/mol
Exact Mass261.02
IUPAC Name1-[4-bromo-2-(2-fluoroethoxy)phenyl]ethanamine
SMILESCC(N)c1ccc(Br)cc1OCCF
InChIInChI=1S/C10H13BrFNO/c1-7(13)9-3-2-8(11)6-10(9)14-5-4-12/h2-3,6-7H,4-5,13H2,1H3
InChIKeyZXMUMOJODLOUEX-UHFFFAOYSA-N
XLogP2.82
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.12
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[4-bromo-2-(3-methylbut-3-enoxy)phenyl]ethanamine
CID 102947179
(1R)-1-(4-bromo-2-heptoxyphenyl)ethanamine
CID 102946514
4-[2-[(1S)-1-aminoethyl]-5-bromophenoxy]butan-2-ol
CID 102947266
1-[4-bromo-2-(2-methylsulfanylethoxy)phenyl]ethanamine
CID 102946275
(1R)-1-[4-bromo-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine
CID 102946902
(1R)-1-[4-bromo-2-(2,2,2-trifluoroethoxy)phenyl]ethanamine
CID 102946643
(1R)-1-[4-bromo-2-(3-phenoxypropoxy)phenyl]ethanamine
CID 102946886
1-(4-bromo-2-prop-2-enoxyphenyl)ethanamine
CID 102946292
(1S)-1-[4-bromo-2-(3-phenylpropoxy)phenyl]ethanamine
CID 102947124
1-[4-bromo-2-(3-phenylpropoxy)phenyl]ethanamine
CID 82975806
1-[4-bromo-2-(2-cyclobutylethoxy)phenyl]ethanamine
CID 114157575
1-[4-bromo-2-(ethoxymethoxy)phenyl]ethanamine
CID 102946236

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(2-fluoroethoxy)phenyl]ethanamine?
The IUPAC name of 1-[4-bromo-2-(2-fluoroethoxy)phenyl]ethanamine (CID 102946431) is 1-[4-bromo-2-(2-fluoroethoxy)phenyl]ethanamine.
What is the SMILES notation for 1-[4-bromo-2-(2-fluoroethoxy)phenyl]ethanamine?
The canonical SMILES for 1-[4-bromo-2-(2-fluoroethoxy)phenyl]ethanamine is CC(N)c1ccc(Br)cc1OCCF.
What is the InChIKey of 1-[4-bromo-2-(2-fluoroethoxy)phenyl]ethanamine?
The InChIKey is ZXMUMOJODLOUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO/c1-7(13)9-3-2-8(11)6-10(9)14-5-4-12/h2-3,6-7H,4-5,13H2,1H3.
What are the key properties of 1-[4-bromo-2-(2-fluoroethoxy)phenyl]ethanamine?
1-[4-bromo-2-(2-fluoroethoxy)phenyl]ethanamine has a molecular weight of 262.12 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(2-fluoroethoxy)phenyl]ethanamine is sourced from PubChem (CID 102946431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).