3-(3,5-dibromo-2-methoxyphenyl)-N-propan-2-ylprop-2-en-1-amine

C13H17Br2NO — CID 79347276

IUPAC3-(3,5-dibromo-2-methoxyphenyl)-N-propan-2-ylprop-2-en-1-amine
SMILESCOc1c(Br)cc(Br)cc1C=CCNC(C)C
InChIInChI=1S/C13H17Br2NO/c1-9(2)16-6-4-5-10-7-11(14)8-12(15)13(10)17-3/h4-5,7-9,16H,6H2,1-3H3
InChIKeyWPIINIBBDBRWAK-UHFFFAOYSA-N
MW363.09 g/mol
LogP4.23
Rot. Bonds5

About 3-(3,5-dibromo-2-methoxyphenyl)-N-propan-2-ylprop-2-en-1-amine

3-(3,5-dibromo-2-methoxyphenyl)-N-propan-2-ylprop-2-en-1-amine (PubChem CID 79347276) has the molecular formula C13H17Br2NO and a molecular weight of 363.09 g/mol. Its IUPAC name is 3-(3,5-dibromo-2-methoxyphenyl)-N-propan-2-ylprop-2-en-1-amine.

Molecular Properties

Compound Name3-(3,5-dibromo-2-methoxyphenyl)-N-propan-2-ylprop-2-en-1-amine
PubChem CID79347276
Molecular FormulaC13H17Br2NO
Molecular Weight363.09 g/mol
Exact Mass360.97
IUPAC Name3-(3,5-dibromo-2-methoxyphenyl)-N-propan-2-ylprop-2-en-1-amine
SMILESCOc1c(Br)cc(Br)cc1C=CCNC(C)C
InChIInChI=1S/C13H17Br2NO/c1-9(2)16-6-4-5-10-7-11(14)8-12(15)13(10)17-3/h4-5,7-9,16H,6H2,1-3H3
InChIKeyWPIINIBBDBRWAK-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

1,5-dibromo-3-[2-(bromomethyl)-3-methylbut-1-enyl]-2-methoxybenzene
CID 79322355
3,5-dibromo-2-methoxybenzaldehyde
CID 1494335
3-(3,5-dibromo-2-propoxyphenyl)-N-ethylprop-2-en-1-amine
CID 79348115
(E)-4-(3,5-dibromo-2-methoxyphenyl)-N,3-dimethylbut-3-en-2-amine
CID 103093072
3-(3,5-dibromo-2-methoxyphenyl)-2-methylprop-2-en-1-ol
CID 79335248
(E)-3-(5-bromo-3-chloro-2-methoxyphenyl)prop-2-en-1-amine
CID 117443203
3-(3,5-dibromo-2-methoxyphenyl)-2-methylprop-2-en-1-amine
CID 79330153
(E)-3-(5-bromoquinolin-8-yl)-N-propan-2-ylprop-2-en-1-amine
CID 112618757
(E)-3-(4-bromo-5-chlorothiophen-2-yl)-N-propan-2-ylprop-2-en-1-amine
CID 102845615
3-(3-bromo-4-fluorophenyl)-N-propan-2-ylprop-2-en-1-amine
CID 79347279
2-[(3,5-dibromo-2-ethoxyphenyl)methylidene]-N-propan-2-ylbutan-1-amine
CID 79329452
ethyl 4-[[(E)-3-(3,5-dibromo-2-methoxyphenyl)prop-2-enoyl]amino]benzoate
CID 17117496

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dibromo-2-methoxyphenyl)-N-propan-2-ylprop-2-en-1-amine?
The IUPAC name of 3-(3,5-dibromo-2-methoxyphenyl)-N-propan-2-ylprop-2-en-1-amine (CID 79347276) is 3-(3,5-dibromo-2-methoxyphenyl)-N-propan-2-ylprop-2-en-1-amine.
What is the SMILES notation for 3-(3,5-dibromo-2-methoxyphenyl)-N-propan-2-ylprop-2-en-1-amine?
The canonical SMILES for 3-(3,5-dibromo-2-methoxyphenyl)-N-propan-2-ylprop-2-en-1-amine is COc1c(Br)cc(Br)cc1C=CCNC(C)C.
What is the InChIKey of 3-(3,5-dibromo-2-methoxyphenyl)-N-propan-2-ylprop-2-en-1-amine?
The InChIKey is WPIINIBBDBRWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Br2NO/c1-9(2)16-6-4-5-10-7-11(14)8-12(15)13(10)17-3/h4-5,7-9,16H,6H2,1-3H3.
What are the key properties of 3-(3,5-dibromo-2-methoxyphenyl)-N-propan-2-ylprop-2-en-1-amine?
3-(3,5-dibromo-2-methoxyphenyl)-N-propan-2-ylprop-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-methoxyphenyl)-N-propan-2-ylprop-2-en-1-amine is sourced from PubChem (CID 79347276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).