2-(2-bromophenoxy)-2-(2-fluorophenyl)ethanamine

C14H13BrFNO — CID 55019037

IUPAC2-(2-bromophenoxy)-2-(2-fluorophenyl)ethanamine
SMILESNCC(Oc1ccccc1Br)c1ccccc1F
InChIInChI=1S/C14H13BrFNO/c15-11-6-2-4-8-13(11)18-14(9-17)10-5-1-3-7-12(10)16/h1-8,14H,9,17H2
InChIKeySXQJWERQUPZGAL-UHFFFAOYSA-N
MW310.17 g/mol
LogP3.67
Rot. Bonds4

About 2-(2-bromophenoxy)-2-(2-fluorophenyl)ethanamine

2-(2-bromophenoxy)-2-(2-fluorophenyl)ethanamine (PubChem CID 55019037) has the molecular formula C14H13BrFNO and a molecular weight of 310.17 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-2-(2-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(2-bromophenoxy)-2-(2-fluorophenyl)ethanamine
PubChem CID55019037
Molecular FormulaC14H13BrFNO
Molecular Weight310.17 g/mol
Exact Mass309.02
IUPAC Name2-(2-bromophenoxy)-2-(2-fluorophenyl)ethanamine
SMILESNCC(Oc1ccccc1Br)c1ccccc1F
InChIInChI=1S/C14H13BrFNO/c15-11-6-2-4-8-13(11)18-14(9-17)10-5-1-3-7-12(10)16/h1-8,14H,9,17H2
InChIKeySXQJWERQUPZGAL-UHFFFAOYSA-N
XLogP3.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.17
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-2-(2-fluorophenyl)ethanamine?
The IUPAC name of 2-(2-bromophenoxy)-2-(2-fluorophenyl)ethanamine (CID 55019037) is 2-(2-bromophenoxy)-2-(2-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(2-bromophenoxy)-2-(2-fluorophenyl)ethanamine?
The canonical SMILES for 2-(2-bromophenoxy)-2-(2-fluorophenyl)ethanamine is NCC(Oc1ccccc1Br)c1ccccc1F.
What is the InChIKey of 2-(2-bromophenoxy)-2-(2-fluorophenyl)ethanamine?
The InChIKey is SXQJWERQUPZGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO/c15-11-6-2-4-8-13(11)18-14(9-17)10-5-1-3-7-12(10)16/h1-8,14H,9,17H2.
What are the key properties of 2-(2-bromophenoxy)-2-(2-fluorophenyl)ethanamine?
2-(2-bromophenoxy)-2-(2-fluorophenyl)ethanamine has a molecular weight of 310.17 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-2-(2-fluorophenyl)ethanamine is sourced from PubChem (CID 55019037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).