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

C11H15NO2 — CID 117283641

IUPAC2-[(E)-3-aminoprop-1-enyl]-6-methoxy-3-methylphenol
SMILESCOc1ccc(C)c(/C=C/CN)c1O
InChIInChI=1S/C11H15NO2/c1-8-5-6-10(14-2)11(13)9(8)4-3-7-12/h3-6,13H,7,12H2,1-2H3/b4-3+
InChIKeyMCRRNHOZRCKXDK-ONEGZZNKSA-N
MW193.25 g/mol
LogP1.68
Rot. Bonds3

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

2-[(E)-3-aminoprop-1-enyl]-6-methoxy-3-methylphenol (PubChem CID 117283641) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-[(E)-3-aminoprop-1-enyl]-6-methoxy-3-methylphenol.

Molecular Properties

Compound Name2-[(E)-3-aminoprop-1-enyl]-6-methoxy-3-methylphenol
PubChem CID117283641
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-[(E)-3-aminoprop-1-enyl]-6-methoxy-3-methylphenol
SMILESCOc1ccc(C)c(/C=C/CN)c1O
InChIInChI=1S/C11H15NO2/c1-8-5-6-10(14-2)11(13)9(8)4-3-7-12/h3-6,13H,7,12H2,1-2H3/b4-3+
InChIKeyMCRRNHOZRCKXDK-ONEGZZNKSA-N
XLogP1.68
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(E)-3-aminoprop-1-enyl]-6-fluoro-3-methylphenol
CID 117278700
4-[(E)-3-aminoprop-1-enyl]-2-methoxy-6-methylphenol
CID 117283631
3-(2,6-dimethylphenyl)prop-2-en-1-amine
CID 169463179
2-[(E)-3-aminoprop-1-enyl]-6-methyl-3-methylsulfanylphenol
CID 117299504
(E)-3-(2,4-dimethoxy-3,6-dimethylphenyl)prop-2-en-1-amine
CID 117316453
(E)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-en-1-amine
CID 117282507
(E)-3-(2,6-difluoro-3,5-dimethoxyphenyl)prop-2-en-1-amine
CID 117330030
6-[(E)-3-aminoprop-1-enyl]-2,3-dimethylphenol
CID 117277547
(E)-3-(2-bromo-3,6-dimethoxy-4-methylphenyl)prop-2-en-1-amine
CID 117460751
(E)-3-(2-bromo-5,6-dimethoxy-3-methylphenyl)prop-2-en-1-amine
CID 117460759
2-[1-(aminomethyl)cyclobutyl]-6-methoxy-3-methylphenol
CID 117316580
(E)-3-(2-fluoro-5-methoxy-4-methylphenyl)prop-2-en-1-amine
CID 117285336

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-aminoprop-1-enyl]-6-methoxy-3-methylphenol?
The IUPAC name of 2-[(E)-3-aminoprop-1-enyl]-6-methoxy-3-methylphenol (CID 117283641) is 2-[(E)-3-aminoprop-1-enyl]-6-methoxy-3-methylphenol.
What is the SMILES notation for 2-[(E)-3-aminoprop-1-enyl]-6-methoxy-3-methylphenol?
The canonical SMILES for 2-[(E)-3-aminoprop-1-enyl]-6-methoxy-3-methylphenol is COc1ccc(C)c(/C=C/CN)c1O.
What is the InChIKey of 2-[(E)-3-aminoprop-1-enyl]-6-methoxy-3-methylphenol?
The InChIKey is MCRRNHOZRCKXDK-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H15NO2/c1-8-5-6-10(14-2)11(13)9(8)4-3-7-12/h3-6,13H,7,12H2,1-2H3/b4-3+.
What are the key properties of 2-[(E)-3-aminoprop-1-enyl]-6-methoxy-3-methylphenol?
2-[(E)-3-aminoprop-1-enyl]-6-methoxy-3-methylphenol has a molecular weight of 193.25 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-aminoprop-1-enyl]-6-methoxy-3-methylphenol is sourced from PubChem (CID 117283641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).