6-[(E)-3-aminoprop-1-enyl]-4-bromo-2-methoxy-3-methylphenol

C11H14BrNO2 — CID 117432734

IUPAC6-[(E)-3-aminoprop-1-enyl]-4-bromo-2-methoxy-3-methylphenol
SMILESCOc1c(C)c(Br)cc(/C=C/CN)c1O
InChIInChI=1S/C11H14BrNO2/c1-7-9(12)6-8(4-3-5-13)10(14)11(7)15-2/h3-4,6,14H,5,13H2,1-2H3/b4-3+
InChIKeyWJOOEAXHQXZKOK-ONEGZZNKSA-N
MW272.14 g/mol
LogP2.44
Rot. Bonds3

About 6-[(E)-3-aminoprop-1-enyl]-4-bromo-2-methoxy-3-methylphenol

6-[(E)-3-aminoprop-1-enyl]-4-bromo-2-methoxy-3-methylphenol (PubChem CID 117432734) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 6-[(E)-3-aminoprop-1-enyl]-4-bromo-2-methoxy-3-methylphenol.

Molecular Properties

Compound Name6-[(E)-3-aminoprop-1-enyl]-4-bromo-2-methoxy-3-methylphenol
PubChem CID117432734
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name6-[(E)-3-aminoprop-1-enyl]-4-bromo-2-methoxy-3-methylphenol
SMILESCOc1c(C)c(Br)cc(/C=C/CN)c1O
InChIInChI=1S/C11H14BrNO2/c1-7-9(12)6-8(4-3-5-13)10(14)11(7)15-2/h3-4,6,14H,5,13H2,1-2H3/b4-3+
InChIKeyWJOOEAXHQXZKOK-ONEGZZNKSA-N
XLogP2.44
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-3-(5-bromo-2,4-dimethoxy-3-methylphenyl)prop-2-en-1-amine
CID 117460762
2-(3-aminoprop-1-enyl)-4,6-dibromophenol
CID 169464646
6-(2-amino-1-hydroxyethyl)-4-bromo-2-methoxy-3-methylphenol
CID 84714365
3-[(E)-3-aminoprop-1-enyl]-4-bromo-6-fluoro-2-methoxyphenol
CID 117441578
(E)-3-(2-bromo-5-methoxy-4-methylphenyl)prop-2-en-1-amine
CID 117393264
(E)-3-(5-bromo-3-chloro-2-methoxyphenyl)prop-2-en-1-amine
CID 117443203
6-[(E)-3-aminoprop-1-enyl]-2-methoxy-3-(trifluoromethyl)phenol
CID 117369568
2-[(E)-3-aminoprop-1-enyl]-6-bromophenol
CID 117328126
6-(1-aminoethyl)-4-bromo-2-methoxy-3-methylphenol
CID 84710112
2-[(E)-3-aminoprop-1-enyl]-4-ethyl-6-methoxyphenol
CID 117295929
(E)-3-(5-chloro-4-fluoro-2-methoxy-3-methylphenyl)prop-2-en-1-amine
CID 117331527
(E)-3-(4-fluoro-2-methoxy-3-methylphenyl)prop-2-en-1-amine
CID 117285356

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-3-aminoprop-1-enyl]-4-bromo-2-methoxy-3-methylphenol?
The IUPAC name of 6-[(E)-3-aminoprop-1-enyl]-4-bromo-2-methoxy-3-methylphenol (CID 117432734) is 6-[(E)-3-aminoprop-1-enyl]-4-bromo-2-methoxy-3-methylphenol.
What is the SMILES notation for 6-[(E)-3-aminoprop-1-enyl]-4-bromo-2-methoxy-3-methylphenol?
The canonical SMILES for 6-[(E)-3-aminoprop-1-enyl]-4-bromo-2-methoxy-3-methylphenol is COc1c(C)c(Br)cc(/C=C/CN)c1O.
What is the InChIKey of 6-[(E)-3-aminoprop-1-enyl]-4-bromo-2-methoxy-3-methylphenol?
The InChIKey is WJOOEAXHQXZKOK-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-7-9(12)6-8(4-3-5-13)10(14)11(7)15-2/h3-4,6,14H,5,13H2,1-2H3/b4-3+.
What are the key properties of 6-[(E)-3-aminoprop-1-enyl]-4-bromo-2-methoxy-3-methylphenol?
6-[(E)-3-aminoprop-1-enyl]-4-bromo-2-methoxy-3-methylphenol has a molecular weight of 272.14 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-3-aminoprop-1-enyl]-4-bromo-2-methoxy-3-methylphenol is sourced from PubChem (CID 117432734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).