3-(2,5-dibromo-4-methoxyphenoxy)-N-methylcyclobutan-1-amine

C12H15Br2NO2 — CID 79403567

IUPAC3-(2,5-dibromo-4-methoxyphenoxy)-N-methylcyclobutan-1-amine
SMILESCNC1CC(Oc2cc(Br)c(OC)cc2Br)C1
InChIInChI=1S/C12H15Br2NO2/c1-15-7-3-8(4-7)17-12-6-9(13)11(16-2)5-10(12)14/h5-8,15H,3-4H2,1-2H3
InChIKeyPNJJLUMGEAVNBK-UHFFFAOYSA-N
MW365.07 g/mol
LogP3.35
Rot. Bonds4

About 3-(2,5-dibromo-4-methoxyphenoxy)-N-methylcyclobutan-1-amine

3-(2,5-dibromo-4-methoxyphenoxy)-N-methylcyclobutan-1-amine (PubChem CID 79403567) has the molecular formula C12H15Br2NO2 and a molecular weight of 365.07 g/mol. Its IUPAC name is 3-(2,5-dibromo-4-methoxyphenoxy)-N-methylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(2,5-dibromo-4-methoxyphenoxy)-N-methylcyclobutan-1-amine
PubChem CID79403567
Molecular FormulaC12H15Br2NO2
Molecular Weight365.07 g/mol
Exact Mass362.95
IUPAC Name3-(2,5-dibromo-4-methoxyphenoxy)-N-methylcyclobutan-1-amine
SMILESCNC1CC(Oc2cc(Br)c(OC)cc2Br)C1
InChIInChI=1S/C12H15Br2NO2/c1-15-7-3-8(4-7)17-12-6-9(13)11(16-2)5-10(12)14/h5-8,15H,3-4H2,1-2H3
InChIKeyPNJJLUMGEAVNBK-UHFFFAOYSA-N
XLogP3.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.07
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dibromo-4-methoxyphenoxy)-N-methylcyclobutan-1-amine?
The IUPAC name of 3-(2,5-dibromo-4-methoxyphenoxy)-N-methylcyclobutan-1-amine (CID 79403567) is 3-(2,5-dibromo-4-methoxyphenoxy)-N-methylcyclobutan-1-amine.
What is the SMILES notation for 3-(2,5-dibromo-4-methoxyphenoxy)-N-methylcyclobutan-1-amine?
The canonical SMILES for 3-(2,5-dibromo-4-methoxyphenoxy)-N-methylcyclobutan-1-amine is CNC1CC(Oc2cc(Br)c(OC)cc2Br)C1.
What is the InChIKey of 3-(2,5-dibromo-4-methoxyphenoxy)-N-methylcyclobutan-1-amine?
The InChIKey is PNJJLUMGEAVNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2NO2/c1-15-7-3-8(4-7)17-12-6-9(13)11(16-2)5-10(12)14/h5-8,15H,3-4H2,1-2H3.
What are the key properties of 3-(2,5-dibromo-4-methoxyphenoxy)-N-methylcyclobutan-1-amine?
3-(2,5-dibromo-4-methoxyphenoxy)-N-methylcyclobutan-1-amine has a molecular weight of 365.07 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dibromo-4-methoxyphenoxy)-N-methylcyclobutan-1-amine is sourced from PubChem (CID 79403567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).