2-(4-bromo-3-fluorophenoxy)-2-phenylethanamine

C14H13BrFNO — CID 65204084

IUPAC2-(4-bromo-3-fluorophenoxy)-2-phenylethanamine
SMILESNCC(Oc1ccc(Br)c(F)c1)c1ccccc1
InChIInChI=1S/C14H13BrFNO/c15-12-7-6-11(8-13(12)16)18-14(9-17)10-4-2-1-3-5-10/h1-8,14H,9,17H2
InChIKeyBXXQOCPFLBELGF-UHFFFAOYSA-N
MW310.17 g/mol
LogP3.67
Rot. Bonds4

About 2-(4-bromo-3-fluorophenoxy)-2-phenylethanamine

2-(4-bromo-3-fluorophenoxy)-2-phenylethanamine (PubChem CID 65204084) has the molecular formula C14H13BrFNO and a molecular weight of 310.17 g/mol. Its IUPAC name is 2-(4-bromo-3-fluorophenoxy)-2-phenylethanamine.

Molecular Properties

Compound Name2-(4-bromo-3-fluorophenoxy)-2-phenylethanamine
PubChem CID65204084
Molecular FormulaC14H13BrFNO
Molecular Weight310.17 g/mol
Exact Mass309.02
IUPAC Name2-(4-bromo-3-fluorophenoxy)-2-phenylethanamine
SMILESNCC(Oc1ccc(Br)c(F)c1)c1ccccc1
InChIInChI=1S/C14H13BrFNO/c15-12-7-6-11(8-13(12)16)18-14(9-17)10-4-2-1-3-5-10/h1-8,14H,9,17H2
InChIKeyBXXQOCPFLBELGF-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-bromo-3-fluorophenoxy)-2-(3-bromophenyl)ethanamine
CID 65203686
2-(4-bromo-3-fluorophenoxy)-2-thiophen-3-ylethanamine
CID 65203482
2-(3-bromo-4-fluorophenoxy)-2-(3-fluorophenyl)ethanamine
CID 83232351
2-(4-bromo-3-methylphenoxy)-2-(4-fluorophenyl)ethanamine
CID 83133763
2-(3-bromo-4-fluorophenoxy)-2-pyridin-4-ylethanamine
CID 83232517
2-(4-bromo-3-fluorophenoxy)-2-(5-methylthiophen-2-yl)ethanamine
CID 65204033
2-(3-bromo-4-fluorophenoxy)-2-(3-methylphenyl)ethanamine
CID 83233344
2-(4-bromo-3-fluorophenoxy)-1-phenylethanamine
CID 65203757
2-phenoxy-2-phenylethanamine;sulfane
CID 174620608
2-phenoxy-2-phenylethanamine chloride
CID 21228850
2-(4-bromo-3-methylphenoxy)-2-(4-chlorophenyl)ethanamine
CID 83133250
2-(3-methoxyphenoxy)-2-phenylethanamine
CID 55017396

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-fluorophenoxy)-2-phenylethanamine?
The IUPAC name of 2-(4-bromo-3-fluorophenoxy)-2-phenylethanamine (CID 65204084) is 2-(4-bromo-3-fluorophenoxy)-2-phenylethanamine.
What is the SMILES notation for 2-(4-bromo-3-fluorophenoxy)-2-phenylethanamine?
The canonical SMILES for 2-(4-bromo-3-fluorophenoxy)-2-phenylethanamine is NCC(Oc1ccc(Br)c(F)c1)c1ccccc1.
What is the InChIKey of 2-(4-bromo-3-fluorophenoxy)-2-phenylethanamine?
The InChIKey is BXXQOCPFLBELGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO/c15-12-7-6-11(8-13(12)16)18-14(9-17)10-4-2-1-3-5-10/h1-8,14H,9,17H2.
What are the key properties of 2-(4-bromo-3-fluorophenoxy)-2-phenylethanamine?
2-(4-bromo-3-fluorophenoxy)-2-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-(4-bromo-3-fluorophenoxy)-2-phenylethanamine is sourced from PubChem (CID 65204084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).