2-(4-bromo-3-fluorophenoxy)-N-ethyl-3-methoxypropan-1-amine

C12H17BrFNO2 — CID 103228797

IUPAC2-(4-bromo-3-fluorophenoxy)-N-ethyl-3-methoxypropan-1-amine
SMILESCCNCC(COC)Oc1ccc(Br)c(F)c1
InChIInChI=1S/C12H17BrFNO2/c1-3-15-7-10(8-16-2)17-9-4-5-11(13)12(14)6-9/h4-6,10,15H,3,7-8H2,1-2H3
InChIKeyRIPMGEYLIZQTPR-UHFFFAOYSA-N
MW306.18 g/mol
LogP2.59
Rot. Bonds7

About 2-(4-bromo-3-fluorophenoxy)-N-ethyl-3-methoxypropan-1-amine

2-(4-bromo-3-fluorophenoxy)-N-ethyl-3-methoxypropan-1-amine (PubChem CID 103228797) has the molecular formula C12H17BrFNO2 and a molecular weight of 306.18 g/mol. Its IUPAC name is 2-(4-bromo-3-fluorophenoxy)-N-ethyl-3-methoxypropan-1-amine.

Molecular Properties

Compound Name2-(4-bromo-3-fluorophenoxy)-N-ethyl-3-methoxypropan-1-amine
PubChem CID103228797
Molecular FormulaC12H17BrFNO2
Molecular Weight306.18 g/mol
Exact Mass305.04
IUPAC Name2-(4-bromo-3-fluorophenoxy)-N-ethyl-3-methoxypropan-1-amine
SMILESCCNCC(COC)Oc1ccc(Br)c(F)c1
InChIInChI=1S/C12H17BrFNO2/c1-3-15-7-10(8-16-2)17-9-4-5-11(13)12(14)6-9/h4-6,10,15H,3,7-8H2,1-2H3
InChIKeyRIPMGEYLIZQTPR-UHFFFAOYSA-N
XLogP2.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.18
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-ethyl-3-methoxypropan-1-amine
CID 103228050
2-(3,4-difluorophenoxy)-N-ethylbutan-1-amine
CID 62485732
N-[2-(4-bromo-3-fluorophenoxy)propyl]butan-1-amine
CID 65201064
2-(3-fluoro-4-methylphenoxy)-3-methoxy-N-methylpropan-1-amine
CID 107170775
2-(4-bromo-2,5-dichlorophenoxy)-N-ethyl-3-methoxypropan-1-amine
CID 107661071
2-(3,4-difluorophenoxy)-N-ethylpropan-1-amine
CID 62485370
N-ethyl-3-methoxy-2-pyridin-3-yloxypropan-1-amine
CID 103228026
2-(2-chloro-5-fluorophenoxy)-N-ethyl-3-methoxypropan-1-amine
CID 114264334
N-[2-(3-fluoro-4-methylphenoxy)-3-methoxypropyl]-2-methylpropan-2-amine
CID 107170842
N-[(3-bromo-2,6-difluorophenyl)methyl]-2,3-dimethoxypropan-1-amine
CID 106263862
N-[2-(4-bromo-3-fluorophenoxy)propyl]cyclopentanamine
CID 65201303
2-(3-bromo-4-fluorophenoxy)-N-propylpentan-1-amine
CID 83234665

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-fluorophenoxy)-N-ethyl-3-methoxypropan-1-amine?
The IUPAC name of 2-(4-bromo-3-fluorophenoxy)-N-ethyl-3-methoxypropan-1-amine (CID 103228797) is 2-(4-bromo-3-fluorophenoxy)-N-ethyl-3-methoxypropan-1-amine.
What is the SMILES notation for 2-(4-bromo-3-fluorophenoxy)-N-ethyl-3-methoxypropan-1-amine?
The canonical SMILES for 2-(4-bromo-3-fluorophenoxy)-N-ethyl-3-methoxypropan-1-amine is CCNCC(COC)Oc1ccc(Br)c(F)c1.
What is the InChIKey of 2-(4-bromo-3-fluorophenoxy)-N-ethyl-3-methoxypropan-1-amine?
The InChIKey is RIPMGEYLIZQTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrFNO2/c1-3-15-7-10(8-16-2)17-9-4-5-11(13)12(14)6-9/h4-6,10,15H,3,7-8H2,1-2H3.
What are the key properties of 2-(4-bromo-3-fluorophenoxy)-N-ethyl-3-methoxypropan-1-amine?
2-(4-bromo-3-fluorophenoxy)-N-ethyl-3-methoxypropan-1-amine has a molecular weight of 306.18 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-fluorophenoxy)-N-ethyl-3-methoxypropan-1-amine is sourced from PubChem (CID 103228797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).