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

C12H15Br2NO — CID 79329832

IUPAC3-(3,5-dibromo-2-ethoxyphenyl)-2-methylprop-2-en-1-amine
SMILESCCOc1c(Br)cc(Br)cc1C=C(C)CN
InChIInChI=1S/C12H15Br2NO/c1-3-16-12-9(4-8(2)7-15)5-10(13)6-11(12)14/h4-6H,3,7,15H2,1-2H3
InChIKeyALTVOJHQOGAVCK-UHFFFAOYSA-N
MW349.07 g/mol
LogP3.97
Rot. Bonds4

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

3-(3,5-dibromo-2-ethoxyphenyl)-2-methylprop-2-en-1-amine (PubChem CID 79329832) has the molecular formula C12H15Br2NO and a molecular weight of 349.07 g/mol. Its IUPAC name is 3-(3,5-dibromo-2-ethoxyphenyl)-2-methylprop-2-en-1-amine.

Molecular Properties

Compound Name3-(3,5-dibromo-2-ethoxyphenyl)-2-methylprop-2-en-1-amine
PubChem CID79329832
Molecular FormulaC12H15Br2NO
Molecular Weight349.07 g/mol
Exact Mass346.95
IUPAC Name3-(3,5-dibromo-2-ethoxyphenyl)-2-methylprop-2-en-1-amine
SMILESCCOc1c(Br)cc(Br)cc1C=C(C)CN
InChIInChI=1S/C12H15Br2NO/c1-3-16-12-9(4-8(2)7-15)5-10(13)6-11(12)14/h4-6H,3,7,15H2,1-2H3
InChIKeyALTVOJHQOGAVCK-UHFFFAOYSA-N
XLogP3.97
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.07
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,5-dibromo-2-ethoxyphenyl)-2-methylprop-2-en-1-ol
CID 79334570
3-(3,5-dibromo-2-methoxyphenyl)-2-methylprop-2-en-1-amine
CID 79330153
3-(3,5-dibromo-2-ethoxyphenyl)-N,2-dimethylprop-2-en-1-amine
CID 79340569
1,5-dibromo-3-(2,2-dibromoethenyl)-2-ethoxybenzene
CID 130532004
3-(3,5-dibromo-2-ethoxyphenyl)-2-methylprop-2-enal
CID 79331302
3-(3,5-dibromo-2-propoxyphenyl)-2-methylprop-2-en-1-ol
CID 79334797
N-[(3,5-dibromo-2-ethoxyphenyl)methylidene]hydroxylamine
CID 75574757
3-(3,5-dibromo-2-methoxyphenyl)-2-methylprop-2-en-1-ol
CID 79335248
2-[(3,5-dibromo-2-ethoxyphenyl)methylidene]-N-propan-2-ylbutan-1-amine
CID 79329452
3,5-dibromo-2-ethoxybenzamide
CID 50880217
5-[(3,5-dibromo-2-ethoxyphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168598848
(Z)-4-(3,5-dibromo-2-propoxyphenyl)-N,3-dimethylbut-3-en-2-amine
CID 103092906

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dibromo-2-ethoxyphenyl)-2-methylprop-2-en-1-amine?
The IUPAC name of 3-(3,5-dibromo-2-ethoxyphenyl)-2-methylprop-2-en-1-amine (CID 79329832) is 3-(3,5-dibromo-2-ethoxyphenyl)-2-methylprop-2-en-1-amine.
What is the SMILES notation for 3-(3,5-dibromo-2-ethoxyphenyl)-2-methylprop-2-en-1-amine?
The canonical SMILES for 3-(3,5-dibromo-2-ethoxyphenyl)-2-methylprop-2-en-1-amine is CCOc1c(Br)cc(Br)cc1C=C(C)CN.
What is the InChIKey of 3-(3,5-dibromo-2-ethoxyphenyl)-2-methylprop-2-en-1-amine?
The InChIKey is ALTVOJHQOGAVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2NO/c1-3-16-12-9(4-8(2)7-15)5-10(13)6-11(12)14/h4-6H,3,7,15H2,1-2H3.
What are the key properties of 3-(3,5-dibromo-2-ethoxyphenyl)-2-methylprop-2-en-1-amine?
3-(3,5-dibromo-2-ethoxyphenyl)-2-methylprop-2-en-1-amine has a molecular weight of 349.07 g/mol, XLogP of 3.97, 4 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-ethoxyphenyl)-2-methylprop-2-en-1-amine is sourced from PubChem (CID 79329832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).