2-(4-bromophenoxy)-1-(4-fluorophenyl)ethanamine

C14H13BrFNO — CID 82027726

IUPAC2-(4-bromophenoxy)-1-(4-fluorophenyl)ethanamine
SMILESNC(COc1ccc(Br)cc1)c1ccc(F)cc1
InChIInChI=1S/C14H13BrFNO/c15-11-3-7-13(8-4-11)18-9-14(17)10-1-5-12(16)6-2-10/h1-8,14H,9,17H2
InChIKeyLERSPZMVLBBBBB-UHFFFAOYSA-N
MW310.17 g/mol
LogP3.67
Rot. Bonds4

About 2-(4-bromophenoxy)-1-(4-fluorophenyl)ethanamine

2-(4-bromophenoxy)-1-(4-fluorophenyl)ethanamine (PubChem CID 82027726) has the molecular formula C14H13BrFNO and a molecular weight of 310.17 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-1-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromophenoxy)-1-(4-fluorophenyl)ethanamine
PubChem CID82027726
Molecular FormulaC14H13BrFNO
Molecular Weight310.17 g/mol
Exact Mass309.02
IUPAC Name2-(4-bromophenoxy)-1-(4-fluorophenyl)ethanamine
SMILESNC(COc1ccc(Br)cc1)c1ccc(F)cc1
InChIInChI=1S/C14H13BrFNO/c15-11-3-7-13(8-4-11)18-9-14(17)10-1-5-12(16)6-2-10/h1-8,14H,9,17H2
InChIKeyLERSPZMVLBBBBB-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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Related Compounds

2-(4-bromophenoxy)-1-phenylethanamine
CID 63771219
1-(4-fluorophenyl)-2-phenoxyethanamine;hydrochloride
CID 138991019
2-(4-fluorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 16788405
2-(4-chloro-3,5-dimethylphenoxy)-1-(4-fluorophenyl)ethanamine
CID 82027729
(2R)-1-(4-fluorophenoxy)-3-methylbutan-2-amine
CID 96818001
2-(2-fluorophenoxy)-1-(4-fluorophenyl)ethanamine
CID 16784701
(1R)-1-[4-[2-(4-bromophenoxy)ethoxy]phenyl]propan-1-amine
CID 63367661
(1S)-1-(4-bromophenyl)-2-methoxyethanamine
CID 95448248
2-(4-bromo-3-fluorophenoxy)-1-phenylethanamine
CID 65203757
(1R)-2-(2,6-dimethylphenoxy)-1-(4-fluorophenyl)ethanamine
CID 30429316
1-bromo-4-[2-(4-fluorophenyl)sulfanylethoxy]benzene
CID 60623467
(1S)-1-(4-bromophenyl)-2-(2,2-difluoroethenoxy)ethanamine
CID 95240936

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-1-(4-fluorophenyl)ethanamine?
The IUPAC name of 2-(4-bromophenoxy)-1-(4-fluorophenyl)ethanamine (CID 82027726) is 2-(4-bromophenoxy)-1-(4-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(4-bromophenoxy)-1-(4-fluorophenyl)ethanamine?
The canonical SMILES for 2-(4-bromophenoxy)-1-(4-fluorophenyl)ethanamine is NC(COc1ccc(Br)cc1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-1-(4-fluorophenyl)ethanamine?
The InChIKey is LERSPZMVLBBBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO/c15-11-3-7-13(8-4-11)18-9-14(17)10-1-5-12(16)6-2-10/h1-8,14H,9,17H2.
What are the key properties of 2-(4-bromophenoxy)-1-(4-fluorophenyl)ethanamine?
2-(4-bromophenoxy)-1-(4-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-(4-bromophenoxy)-1-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 82027726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).