2-(3-aminoprop-1-enyl)-4,6-dibromophenol

C9H9Br2NO — CID 169464646

IUPAC2-(3-aminoprop-1-enyl)-4,6-dibromophenol
SMILESNCC=Cc1cc(Br)cc(Br)c1O
InChIInChI=1S/C9H9Br2NO/c10-7-4-6(2-1-3-12)9(13)8(11)5-7/h1-2,4-5,13H,3,12H2
InChIKeyVKYAXUBMCXEJTI-UHFFFAOYSA-N
MW306.99 g/mol
LogP2.89
Rot. Bonds2

About 2-(3-aminoprop-1-enyl)-4,6-dibromophenol

2-(3-aminoprop-1-enyl)-4,6-dibromophenol (PubChem CID 169464646) has the molecular formula C9H9Br2NO and a molecular weight of 306.99 g/mol. Its IUPAC name is 2-(3-aminoprop-1-enyl)-4,6-dibromophenol.

Molecular Properties

Compound Name2-(3-aminoprop-1-enyl)-4,6-dibromophenol
PubChem CID169464646
Molecular FormulaC9H9Br2NO
Molecular Weight306.99 g/mol
Exact Mass304.91
IUPAC Name2-(3-aminoprop-1-enyl)-4,6-dibromophenol
SMILESNCC=Cc1cc(Br)cc(Br)c1O
InChIInChI=1S/C9H9Br2NO/c10-7-4-6(2-1-3-12)9(13)8(11)5-7/h1-2,4-5,13H,3,12H2
InChIKeyVKYAXUBMCXEJTI-UHFFFAOYSA-N
XLogP2.89
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.99
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dibromo-6-(3-bromoprop-1-enyl)phenol
CID 169476608
2,4-dibromo-6-(3-hydroxyprop-1-enyl)phenol
CID 169454368
2-[(E)-3-aminoprop-1-enyl]-6-bromophenol
CID 117328126
2,4-dibromo-6-[(E)-heptadec-1-enyl]phenol
CID 10767322
(E)-3-(3,5-dibromo-2-hydroxyphenyl)prop-2-enamide
CID 131238888
6-[(E)-3-aminoprop-1-enyl]-4-bromo-2-methoxy-3-methylphenol
CID 117432734
(E)-3-(5-bromo-2,3-dimethylphenyl)prop-2-en-1-amine
CID 117352410
2,4-dibromo-6-[(E)-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol
CID 135459439
2-[(E)-3-aminoprop-1-enyl]-6-bromo-3,4-difluorophenol
CID 117414280
2,4-dibromo-6-[2-[(1R,2R)-2-[2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]cyclohexyl]ethenyl]phenol
CID 59075126
2,4-dibromo-6-(ethyliminomethyl)phenol
CID 139079595
2-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-1-hydroxyguanidine
CID 135435056

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoprop-1-enyl)-4,6-dibromophenol?
The IUPAC name of 2-(3-aminoprop-1-enyl)-4,6-dibromophenol (CID 169464646) is 2-(3-aminoprop-1-enyl)-4,6-dibromophenol.
What is the SMILES notation for 2-(3-aminoprop-1-enyl)-4,6-dibromophenol?
The canonical SMILES for 2-(3-aminoprop-1-enyl)-4,6-dibromophenol is NCC=Cc1cc(Br)cc(Br)c1O.
What is the InChIKey of 2-(3-aminoprop-1-enyl)-4,6-dibromophenol?
The InChIKey is VKYAXUBMCXEJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Br2NO/c10-7-4-6(2-1-3-12)9(13)8(11)5-7/h1-2,4-5,13H,3,12H2.
What are the key properties of 2-(3-aminoprop-1-enyl)-4,6-dibromophenol?
2-(3-aminoprop-1-enyl)-4,6-dibromophenol has a molecular weight of 306.99 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminoprop-1-enyl)-4,6-dibromophenol is sourced from PubChem (CID 169464646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).