1-[2-[2-(4-bromophenoxy)ethoxy]-4-fluorophenyl]ethanamine

C16H17BrFNO2 — CID 63066537

IUPAC1-[2-[2-(4-bromophenoxy)ethoxy]-4-fluorophenyl]ethanamine
SMILESCC(N)c1ccc(F)cc1OCCOc1ccc(Br)cc1
InChIInChI=1S/C16H17BrFNO2/c1-11(19)15-7-4-13(18)10-16(15)21-9-8-20-14-5-2-12(17)3-6-14/h2-7,10-11H,8-9,19H2,1H3
InChIKeySNIJQIZUFCJJSA-UHFFFAOYSA-N
MW354.22 g/mol
LogP4.07
Rot. Bonds6

About 1-[2-[2-(4-bromophenoxy)ethoxy]-4-fluorophenyl]ethanamine

1-[2-[2-(4-bromophenoxy)ethoxy]-4-fluorophenyl]ethanamine (PubChem CID 63066537) has the molecular formula C16H17BrFNO2 and a molecular weight of 354.22 g/mol. Its IUPAC name is 1-[2-[2-(4-bromophenoxy)ethoxy]-4-fluorophenyl]ethanamine.

Molecular Properties

Compound Name1-[2-[2-(4-bromophenoxy)ethoxy]-4-fluorophenyl]ethanamine
PubChem CID63066537
Molecular FormulaC16H17BrFNO2
Molecular Weight354.22 g/mol
Exact Mass353.04
IUPAC Name1-[2-[2-(4-bromophenoxy)ethoxy]-4-fluorophenyl]ethanamine
SMILESCC(N)c1ccc(F)cc1OCCOc1ccc(Br)cc1
InChIInChI=1S/C16H17BrFNO2/c1-11(19)15-7-4-13(18)10-16(15)21-9-8-20-14-5-2-12(17)3-6-14/h2-7,10-11H,8-9,19H2,1H3
InChIKeySNIJQIZUFCJJSA-UHFFFAOYSA-N
XLogP4.07
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.22
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine
CID 104560887
1-[4-bromo-2-(2-fluoroethoxy)phenyl]ethanamine
CID 102946431
(1R)-1-[4-bromo-2-(3-phenoxypropoxy)phenyl]ethanamine
CID 102946886
(1R)-1-(2-decoxy-4-fluorophenyl)ethanamine
CID 63486431
(1S)-1-[2-[(4-bromo-2-chlorophenyl)methoxy]-4-fluorophenyl]ethanamine
CID 104862272
(1S)-1-[2-[(2-bromo-5-methoxyphenyl)methoxy]-4-fluorophenyl]ethanamine
CID 79005238
1-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]propan-2-ol
CID 63368001
(1R)-1-[4-bromo-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine
CID 102946902
(1R)-1-[2-[(3,5-difluorophenyl)methoxy]-4-fluorophenyl]ethanamine
CID 105402600
(1S)-1-[4-bromo-2-(3-methylbut-3-enoxy)phenyl]ethanamine
CID 102947179
4-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-2,2-dimethylbutanenitrile
CID 65247062
1-[2-[2-(3-bromophenoxy)ethoxy]-4-methylphenyl]ethanamine
CID 63638903

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(4-bromophenoxy)ethoxy]-4-fluorophenyl]ethanamine?
The IUPAC name of 1-[2-[2-(4-bromophenoxy)ethoxy]-4-fluorophenyl]ethanamine (CID 63066537) is 1-[2-[2-(4-bromophenoxy)ethoxy]-4-fluorophenyl]ethanamine.
What is the SMILES notation for 1-[2-[2-(4-bromophenoxy)ethoxy]-4-fluorophenyl]ethanamine?
The canonical SMILES for 1-[2-[2-(4-bromophenoxy)ethoxy]-4-fluorophenyl]ethanamine is CC(N)c1ccc(F)cc1OCCOc1ccc(Br)cc1.
What is the InChIKey of 1-[2-[2-(4-bromophenoxy)ethoxy]-4-fluorophenyl]ethanamine?
The InChIKey is SNIJQIZUFCJJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO2/c1-11(19)15-7-4-13(18)10-16(15)21-9-8-20-14-5-2-12(17)3-6-14/h2-7,10-11H,8-9,19H2,1H3.
What are the key properties of 1-[2-[2-(4-bromophenoxy)ethoxy]-4-fluorophenyl]ethanamine?
1-[2-[2-(4-bromophenoxy)ethoxy]-4-fluorophenyl]ethanamine has a molecular weight of 354.22 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4-bromophenoxy)ethoxy]-4-fluorophenyl]ethanamine is sourced from PubChem (CID 63066537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).