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

C13H17Br2NO — CID 79340569

IUPAC3-(3,5-dibromo-2-ethoxyphenyl)-N,2-dimethylprop-2-en-1-amine
SMILESCCOc1c(Br)cc(Br)cc1C=C(C)CNC
InChIInChI=1S/C13H17Br2NO/c1-4-17-13-10(5-9(2)8-16-3)6-11(14)7-12(13)15/h5-7,16H,4,8H2,1-3H3
InChIKeyANRIOYRTBZSBIK-UHFFFAOYSA-N
MW363.09 g/mol
LogP4.23
Rot. Bonds5

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

3-(3,5-dibromo-2-ethoxyphenyl)-N,2-dimethylprop-2-en-1-amine (PubChem CID 79340569) has the molecular formula C13H17Br2NO and a molecular weight of 363.09 g/mol. Its IUPAC name is 3-(3,5-dibromo-2-ethoxyphenyl)-N,2-dimethylprop-2-en-1-amine.

Molecular Properties

Compound Name3-(3,5-dibromo-2-ethoxyphenyl)-N,2-dimethylprop-2-en-1-amine
PubChem CID79340569
Molecular FormulaC13H17Br2NO
Molecular Weight363.09 g/mol
Exact Mass360.97
IUPAC Name3-(3,5-dibromo-2-ethoxyphenyl)-N,2-dimethylprop-2-en-1-amine
SMILESCCOc1c(Br)cc(Br)cc1C=C(C)CNC
InChIInChI=1S/C13H17Br2NO/c1-4-17-13-10(5-9(2)8-16-3)6-11(14)7-12(13)15/h5-7,16H,4,8H2,1-3H3
InChIKeyANRIOYRTBZSBIK-UHFFFAOYSA-N
XLogP4.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.09
LogP ≤ 54.23
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-ethoxyphenyl)-2-methylprop-2-en-1-amine
CID 79329832
1,5-dibromo-3-(2,2-dibromoethenyl)-2-ethoxybenzene
CID 130532004
3-(3,5-dibromo-2-ethoxyphenyl)-2-methylprop-2-enal
CID 79331302
2-[(3,5-dibromo-2-ethoxyphenyl)methylidene]-N-propan-2-ylbutan-1-amine
CID 79329452
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
3-(5-bromo-2-methoxyphenyl)-N,2-dimethylprop-2-en-1-amine
CID 79340667
(Z)-4-(3,5-dibromo-2-propoxyphenyl)-N,3-dimethylbut-3-en-2-amine
CID 103092906
1-(3,5-dibromo-2-ethoxyphenyl)-N-methylmethanamine
CID 4717481
3-(3,5-dibromo-2-methoxyphenyl)-2-methylprop-2-en-1-amine
CID 79330153

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dibromo-2-ethoxyphenyl)-N,2-dimethylprop-2-en-1-amine?
The IUPAC name of 3-(3,5-dibromo-2-ethoxyphenyl)-N,2-dimethylprop-2-en-1-amine (CID 79340569) is 3-(3,5-dibromo-2-ethoxyphenyl)-N,2-dimethylprop-2-en-1-amine.
What is the SMILES notation for 3-(3,5-dibromo-2-ethoxyphenyl)-N,2-dimethylprop-2-en-1-amine?
The canonical SMILES for 3-(3,5-dibromo-2-ethoxyphenyl)-N,2-dimethylprop-2-en-1-amine is CCOc1c(Br)cc(Br)cc1C=C(C)CNC.
What is the InChIKey of 3-(3,5-dibromo-2-ethoxyphenyl)-N,2-dimethylprop-2-en-1-amine?
The InChIKey is ANRIOYRTBZSBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Br2NO/c1-4-17-13-10(5-9(2)8-16-3)6-11(14)7-12(13)15/h5-7,16H,4,8H2,1-3H3.
What are the key properties of 3-(3,5-dibromo-2-ethoxyphenyl)-N,2-dimethylprop-2-en-1-amine?
3-(3,5-dibromo-2-ethoxyphenyl)-N,2-dimethylprop-2-en-1-amine has a molecular weight of 363.09 g/mol, XLogP of 4.23, 5 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)-N,2-dimethylprop-2-en-1-amine is sourced from PubChem (CID 79340569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).