3-(3,5-dibromo-2-methoxyphenyl)-2-methylprop-2-en-1-amine

C11H13Br2NO — CID 79330153

IUPAC3-(3,5-dibromo-2-methoxyphenyl)-2-methylprop-2-en-1-amine
SMILESCOc1c(Br)cc(Br)cc1C=C(C)CN
InChIInChI=1S/C11H13Br2NO/c1-7(6-14)3-8-4-9(12)5-10(13)11(8)15-2/h3-5H,6,14H2,1-2H3
InChIKeyBXMVAWSLIXLFGD-UHFFFAOYSA-N
MW335.04 g/mol
LogP3.58
Rot. Bonds3

About 3-(3,5-dibromo-2-methoxyphenyl)-2-methylprop-2-en-1-amine

3-(3,5-dibromo-2-methoxyphenyl)-2-methylprop-2-en-1-amine (PubChem CID 79330153) has the molecular formula C11H13Br2NO and a molecular weight of 335.04 g/mol. Its IUPAC name is 3-(3,5-dibromo-2-methoxyphenyl)-2-methylprop-2-en-1-amine.

Molecular Properties

Compound Name3-(3,5-dibromo-2-methoxyphenyl)-2-methylprop-2-en-1-amine
PubChem CID79330153
Molecular FormulaC11H13Br2NO
Molecular Weight335.04 g/mol
Exact Mass332.94
IUPAC Name3-(3,5-dibromo-2-methoxyphenyl)-2-methylprop-2-en-1-amine
SMILESCOc1c(Br)cc(Br)cc1C=C(C)CN
InChIInChI=1S/C11H13Br2NO/c1-7(6-14)3-8-4-9(12)5-10(13)11(8)15-2/h3-5H,6,14H2,1-2H3
InChIKeyBXMVAWSLIXLFGD-UHFFFAOYSA-N
XLogP3.58
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.04
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,5-dibromo-2-methoxyphenyl)-2-methylprop-2-en-1-ol
CID 79335248
3-(3,5-dibromo-2-ethoxyphenyl)-2-methylprop-2-en-1-amine
CID 79329832
3-(3,5-dibromo-2-methoxyphenyl)-2-methylprop-2-enal
CID 79331096
1,5-dibromo-3-[2-(bromomethyl)-3-methylbut-1-enyl]-2-methoxybenzene
CID 79322355
1,5-dibromo-3-[2-(chloromethyl)but-1-enyl]-2-methoxybenzene
CID 79334125
(E)-4-(3,5-dibromo-2-methoxyphenyl)-N,3-dimethylbut-3-en-2-amine
CID 103093072
3-(3,5-dibromo-2-ethoxyphenyl)-2-methylprop-2-en-1-ol
CID 79334570
3,5-dibromo-2-methoxybenzaldehyde
CID 1494335
3-(3,5-dibromo-2-propoxyphenyl)-2-methylprop-2-en-1-ol
CID 79334797
2-[(3,5-dibromo-2-methoxyphenyl)methylidene]-N-propylbutan-1-amine
CID 79330453
3-(3,5-dibromo-2-ethoxyphenyl)-N,2-dimethylprop-2-en-1-amine
CID 79340569
(Z)-3-(3,5-dibromo-2-methoxyphenyl)-2-phenylprop-2-enoic acid
CID 43169992

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dibromo-2-methoxyphenyl)-2-methylprop-2-en-1-amine?
The IUPAC name of 3-(3,5-dibromo-2-methoxyphenyl)-2-methylprop-2-en-1-amine (CID 79330153) is 3-(3,5-dibromo-2-methoxyphenyl)-2-methylprop-2-en-1-amine.
What is the SMILES notation for 3-(3,5-dibromo-2-methoxyphenyl)-2-methylprop-2-en-1-amine?
The canonical SMILES for 3-(3,5-dibromo-2-methoxyphenyl)-2-methylprop-2-en-1-amine is COc1c(Br)cc(Br)cc1C=C(C)CN.
What is the InChIKey of 3-(3,5-dibromo-2-methoxyphenyl)-2-methylprop-2-en-1-amine?
The InChIKey is BXMVAWSLIXLFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2NO/c1-7(6-14)3-8-4-9(12)5-10(13)11(8)15-2/h3-5H,6,14H2,1-2H3.
What are the key properties of 3-(3,5-dibromo-2-methoxyphenyl)-2-methylprop-2-en-1-amine?
3-(3,5-dibromo-2-methoxyphenyl)-2-methylprop-2-en-1-amine has a molecular weight of 335.04 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dibromo-2-methoxyphenyl)-2-methylprop-2-en-1-amine is sourced from PubChem (CID 79330153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).