2-(5-bromo-2-fluorophenoxy)-1-phenylethanamine

C14H13BrFNO — CID 114673476

IUPAC2-(5-bromo-2-fluorophenoxy)-1-phenylethanamine
SMILESNC(COc1cc(Br)ccc1F)c1ccccc1
InChIInChI=1S/C14H13BrFNO/c15-11-6-7-12(16)14(8-11)18-9-13(17)10-4-2-1-3-5-10/h1-8,13H,9,17H2
InChIKeyGPWAVKYKCOKAKC-UHFFFAOYSA-N
MW310.17 g/mol
LogP3.67
Rot. Bonds4

About 2-(5-bromo-2-fluorophenoxy)-1-phenylethanamine

2-(5-bromo-2-fluorophenoxy)-1-phenylethanamine (PubChem CID 114673476) has the molecular formula C14H13BrFNO and a molecular weight of 310.17 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenoxy)-1-phenylethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenoxy)-1-phenylethanamine
PubChem CID114673476
Molecular FormulaC14H13BrFNO
Molecular Weight310.17 g/mol
Exact Mass309.02
IUPAC Name2-(5-bromo-2-fluorophenoxy)-1-phenylethanamine
SMILESNC(COc1cc(Br)ccc1F)c1ccccc1
InChIInChI=1S/C14H13BrFNO/c15-11-6-7-12(16)14(8-11)18-9-13(17)10-4-2-1-3-5-10/h1-8,13H,9,17H2
InChIKeyGPWAVKYKCOKAKC-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-(2-fluorophenoxy)-1-phenylethanamine
CID 16782769
2-(4-bromo-3-fluorophenoxy)-1-phenylethanamine
CID 65203757
2-(4-bromophenoxy)-1-phenylethanamine
CID 63771219
2-(3,4-difluorophenoxy)-1-phenylethanamine
CID 63772754
2-(2-fluorophenoxy)-1-(4-fluorophenyl)ethanamine
CID 16784701
2-(2-fluorophenoxy)-1-(3-fluorophenyl)ethanamine
CID 18070424
4-(5-bromo-2-fluorophenyl)-1-phenylbutan-1-amine
CID 64505603
3-(5-bromo-2-fluorophenoxy)-2-methylpropane-1-thiol
CID 114677242
2-(2-fluoro-5-methyl-4-nitrophenoxy)-1-phenylethanamine
CID 114416740
methyl 2-bromo-3-(5-bromo-2-fluorophenoxy)propanoate
CID 114671584
(1S)-2-[2-(4-chlorophenoxy)-3-fluorophenoxy]-1-phenylethanamine
CID 134158095
4-bromo-2-[(2-bromophenyl)methoxy]-1-fluorobenzene
CID 114672951

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenoxy)-1-phenylethanamine?
The IUPAC name of 2-(5-bromo-2-fluorophenoxy)-1-phenylethanamine (CID 114673476) is 2-(5-bromo-2-fluorophenoxy)-1-phenylethanamine.
What is the SMILES notation for 2-(5-bromo-2-fluorophenoxy)-1-phenylethanamine?
The canonical SMILES for 2-(5-bromo-2-fluorophenoxy)-1-phenylethanamine is NC(COc1cc(Br)ccc1F)c1ccccc1.
What is the InChIKey of 2-(5-bromo-2-fluorophenoxy)-1-phenylethanamine?
The InChIKey is GPWAVKYKCOKAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO/c15-11-6-7-12(16)14(8-11)18-9-13(17)10-4-2-1-3-5-10/h1-8,13H,9,17H2.
What are the key properties of 2-(5-bromo-2-fluorophenoxy)-1-phenylethanamine?
2-(5-bromo-2-fluorophenoxy)-1-phenylethanamine 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-(5-bromo-2-fluorophenoxy)-1-phenylethanamine is sourced from PubChem (CID 114673476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).