(1R)-1-[2-(3-bromo-4-fluorophenoxy)phenyl]propan-1-amine

C15H15BrFNO — CID 103959458

IUPAC(1R)-1-[2-(3-bromo-4-fluorophenoxy)phenyl]propan-1-amine
SMILESCC[C@@H](N)c1ccccc1Oc1ccc(F)c(Br)c1
InChIInChI=1S/C15H15BrFNO/c1-2-14(18)11-5-3-4-6-15(11)19-10-7-8-13(17)12(16)9-10/h3-9,14H,2,18H2,1H3/t14-/m1/s1
InChIKeyUJYADVWVIJPWLH-CQSZACIVSA-N
MW324.19 g/mol
LogP4.79
Rot. Bonds4

About (1R)-1-[2-(3-bromo-4-fluorophenoxy)phenyl]propan-1-amine

(1R)-1-[2-(3-bromo-4-fluorophenoxy)phenyl]propan-1-amine (PubChem CID 103959458) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is (1R)-1-[2-(3-bromo-4-fluorophenoxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[2-(3-bromo-4-fluorophenoxy)phenyl]propan-1-amine
PubChem CID103959458
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name(1R)-1-[2-(3-bromo-4-fluorophenoxy)phenyl]propan-1-amine
SMILESCC[C@@H](N)c1ccccc1Oc1ccc(F)c(Br)c1
InChIInChI=1S/C15H15BrFNO/c1-2-14(18)11-5-3-4-6-15(11)19-10-7-8-13(17)12(16)9-10/h3-9,14H,2,18H2,1H3/t14-/m1/s1
InChIKeyUJYADVWVIJPWLH-CQSZACIVSA-N
XLogP4.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-chloro-4-fluorophenoxy)phenyl]propan-1-amine
CID 112678483
(1R)-1-[2-(3-methoxyphenoxy)phenyl]propan-1-amine
CID 103739046
(1S)-1-[2-(3,4-dimethylphenoxy)phenyl]propan-1-amine
CID 103959252
1-[2-(3,4-dimethylphenoxy)phenyl]propan-1-amine
CID 112678409
1-[2-(2-bromophenoxy)phenyl]propan-1-amine
CID 112678376
(1R)-1-[2-(3,4-dichlorophenoxy)phenyl]propan-1-amine
CID 103959328
1-[2-(3-bromo-4-fluorophenoxy)-6-chlorophenyl]butan-2-amine
CID 83232907
(1R)-1-[2-(5-bromo-2,3-difluorophenoxy)phenyl]propan-1-amine
CID 107099969
(1S)-1-[2-(3-bromo-4-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 83234046
(1R)-1-[2-(2-fluoro-5-methylphenoxy)phenyl]propan-1-amine
CID 103959407
1-[2-(3-ethoxyphenoxy)phenyl]propan-1-amine
CID 115995673
1-[2-(4-chloro-3-methylphenoxy)phenyl]propan-1-amine
CID 112678379

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(3-bromo-4-fluorophenoxy)phenyl]propan-1-amine?
The IUPAC name of (1R)-1-[2-(3-bromo-4-fluorophenoxy)phenyl]propan-1-amine (CID 103959458) is (1R)-1-[2-(3-bromo-4-fluorophenoxy)phenyl]propan-1-amine.
What is the SMILES notation for (1R)-1-[2-(3-bromo-4-fluorophenoxy)phenyl]propan-1-amine?
The canonical SMILES for (1R)-1-[2-(3-bromo-4-fluorophenoxy)phenyl]propan-1-amine is CC[C@@H](N)c1ccccc1Oc1ccc(F)c(Br)c1.
What is the InChIKey of (1R)-1-[2-(3-bromo-4-fluorophenoxy)phenyl]propan-1-amine?
The InChIKey is UJYADVWVIJPWLH-CQSZACIVSA-N. The full InChI is InChI=1S/C15H15BrFNO/c1-2-14(18)11-5-3-4-6-15(11)19-10-7-8-13(17)12(16)9-10/h3-9,14H,2,18H2,1H3/t14-/m1/s1.
What are the key properties of (1R)-1-[2-(3-bromo-4-fluorophenoxy)phenyl]propan-1-amine?
(1R)-1-[2-(3-bromo-4-fluorophenoxy)phenyl]propan-1-amine has a molecular weight of 324.19 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(3-bromo-4-fluorophenoxy)phenyl]propan-1-amine is sourced from PubChem (CID 103959458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).