3-(2-bromo-4-fluorophenoxy)-2-methylpropan-1-amine

C10H13BrFNO — CID 43531039

IUPAC3-(2-bromo-4-fluorophenoxy)-2-methylpropan-1-amine
SMILESCC(CN)COc1ccc(F)cc1Br
InChIInChI=1S/C10H13BrFNO/c1-7(5-13)6-14-10-3-2-8(12)4-9(10)11/h2-4,7H,5-6,13H2,1H3
InChIKeyVTBPYJYJSIDFHH-UHFFFAOYSA-N
MW262.12 g/mol
LogP2.56
Rot. Bonds4

About 3-(2-bromo-4-fluorophenoxy)-2-methylpropan-1-amine

3-(2-bromo-4-fluorophenoxy)-2-methylpropan-1-amine (PubChem CID 43531039) has the molecular formula C10H13BrFNO and a molecular weight of 262.12 g/mol. Its IUPAC name is 3-(2-bromo-4-fluorophenoxy)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(2-bromo-4-fluorophenoxy)-2-methylpropan-1-amine
PubChem CID43531039
Molecular FormulaC10H13BrFNO
Molecular Weight262.12 g/mol
Exact Mass261.02
IUPAC Name3-(2-bromo-4-fluorophenoxy)-2-methylpropan-1-amine
SMILESCC(CN)COc1ccc(F)cc1Br
InChIInChI=1S/C10H13BrFNO/c1-7(5-13)6-14-10-3-2-8(12)4-9(10)11/h2-4,7H,5-6,13H2,1H3
InChIKeyVTBPYJYJSIDFHH-UHFFFAOYSA-N
XLogP2.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.12
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-4-fluorophenoxy)butan-2-ol
CID 60880483
2-(2-bromo-4-fluorophenoxy)ethanamine
CID 22688771
2-[4-[(2-bromo-4-fluorophenoxy)methyl]phenyl]propan-1-amine
CID 105350409
3-(4-bromo-2,5-dichlorophenoxy)-2-methylpropan-1-amine
CID 107659698
3-(2-fluoro-3-methylphenoxy)-2-methylpropan-1-amine
CID 107659711
5-(2-bromo-4-fluorophenoxy)-2,2-dimethylpentan-1-amine
CID 65255804
2-bromo-1-(3-bromo-2-phenylpropoxy)-4-fluorobenzene
CID 65015891
[(2S)-1-amino-1-oxopropan-2-yl] 2-(2-bromo-4-fluorophenoxy)acetate
CID 8525758
2-bromo-1-(3-bromo-2-methylpropoxy)-4-methylbenzene
CID 64996070
1-[3-bromo-4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 63421985
methyl 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]propanoate
CID 60637998
3-[(2-bromo-5-fluorophenyl)methylsulfanyl]-2-methylpropan-1-amine
CID 66226350

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-4-fluorophenoxy)-2-methylpropan-1-amine?
The IUPAC name of 3-(2-bromo-4-fluorophenoxy)-2-methylpropan-1-amine (CID 43531039) is 3-(2-bromo-4-fluorophenoxy)-2-methylpropan-1-amine.
What is the SMILES notation for 3-(2-bromo-4-fluorophenoxy)-2-methylpropan-1-amine?
The canonical SMILES for 3-(2-bromo-4-fluorophenoxy)-2-methylpropan-1-amine is CC(CN)COc1ccc(F)cc1Br.
What is the InChIKey of 3-(2-bromo-4-fluorophenoxy)-2-methylpropan-1-amine?
The InChIKey is VTBPYJYJSIDFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO/c1-7(5-13)6-14-10-3-2-8(12)4-9(10)11/h2-4,7H,5-6,13H2,1H3.
What are the key properties of 3-(2-bromo-4-fluorophenoxy)-2-methylpropan-1-amine?
3-(2-bromo-4-fluorophenoxy)-2-methylpropan-1-amine has a molecular weight of 262.12 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-4-fluorophenoxy)-2-methylpropan-1-amine is sourced from PubChem (CID 43531039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).