(1R)-1-[4-(3-bromo-4-fluorophenoxy)phenyl]ethanamine

C14H13BrFNO — CID 83235043

IUPAC(1R)-1-[4-(3-bromo-4-fluorophenoxy)phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(Oc2ccc(F)c(Br)c2)cc1
InChIInChI=1S/C14H13BrFNO/c1-9(17)10-2-4-11(5-3-10)18-12-6-7-14(16)13(15)8-12/h2-9H,17H2,1H3/t9-/m1/s1
InChIKeyQHMAIHHOOZLFIF-SECBINFHSA-N
MW310.17 g/mol
LogP4.40
Rot. Bonds3

About (1R)-1-[4-(3-bromo-4-fluorophenoxy)phenyl]ethanamine

(1R)-1-[4-(3-bromo-4-fluorophenoxy)phenyl]ethanamine (PubChem CID 83235043) has the molecular formula C14H13BrFNO and a molecular weight of 310.17 g/mol. Its IUPAC name is (1R)-1-[4-(3-bromo-4-fluorophenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-(3-bromo-4-fluorophenoxy)phenyl]ethanamine
PubChem CID83235043
Molecular FormulaC14H13BrFNO
Molecular Weight310.17 g/mol
Exact Mass309.02
IUPAC Name(1R)-1-[4-(3-bromo-4-fluorophenoxy)phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(Oc2ccc(F)c(Br)c2)cc1
InChIInChI=1S/C14H13BrFNO/c1-9(17)10-2-4-11(5-3-10)18-12-6-7-14(16)13(15)8-12/h2-9H,17H2,1H3/t9-/m1/s1
InChIKeyQHMAIHHOOZLFIF-SECBINFHSA-N
XLogP4.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.17
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[4-(4-chloro-3-fluorophenoxy)phenyl]ethanamine
CID 79020482
2-bromo-1-fluoro-4-phenoxybenzene
CID 71774083
1-[4-(2-bromo-4-fluorophenoxy)phenyl]ethanamine
CID 43189121
1-[3-(3-bromo-4-fluorophenoxy)phenyl]propan-2-amine
CID 83234688
(1S)-1-[2-(3-bromo-4-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 83234046
(1S)-1-[4-(3-fluoro-4-nitrophenoxy)phenyl]ethanamine
CID 63370009
(1R)-1-[4-(3,5-dimethoxyphenoxy)phenyl]ethanamine
CID 78938156
1-[4-(4-propan-2-ylphenoxy)phenyl]ethanamine
CID 43109127
(1S)-1-[3-bromo-4-(2-bromo-4-methoxyphenoxy)phenyl]ethanamine
CID 104707913
(1R)-1-[4-(3-propan-2-ylphenoxy)phenyl]ethanamine
CID 29276487
1-[4-(3-propan-2-ylphenoxy)phenyl]ethanamine
CID 43102412
(1S)-1-[4-(4-bromo-3-fluorophenoxy)-3-chlorophenyl]ethanamine
CID 79004867

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(3-bromo-4-fluorophenoxy)phenyl]ethanamine?
The IUPAC name of (1R)-1-[4-(3-bromo-4-fluorophenoxy)phenyl]ethanamine (CID 83235043) is (1R)-1-[4-(3-bromo-4-fluorophenoxy)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[4-(3-bromo-4-fluorophenoxy)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[4-(3-bromo-4-fluorophenoxy)phenyl]ethanamine is C[C@@H](N)c1ccc(Oc2ccc(F)c(Br)c2)cc1.
What is the InChIKey of (1R)-1-[4-(3-bromo-4-fluorophenoxy)phenyl]ethanamine?
The InChIKey is QHMAIHHOOZLFIF-SECBINFHSA-N. The full InChI is InChI=1S/C14H13BrFNO/c1-9(17)10-2-4-11(5-3-10)18-12-6-7-14(16)13(15)8-12/h2-9H,17H2,1H3/t9-/m1/s1.
What are the key properties of (1R)-1-[4-(3-bromo-4-fluorophenoxy)phenyl]ethanamine?
(1R)-1-[4-(3-bromo-4-fluorophenoxy)phenyl]ethanamine has a molecular weight of 310.17 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(3-bromo-4-fluorophenoxy)phenyl]ethanamine is sourced from PubChem (CID 83235043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).