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

C11H15NO2 — CID 117283631

IUPAC4-[(E)-3-aminoprop-1-enyl]-2-methoxy-6-methylphenol
SMILESCOc1cc(/C=C/CN)cc(C)c1O
InChIInChI=1S/C11H15NO2/c1-8-6-9(4-3-5-12)7-10(14-2)11(8)13/h3-4,6-7,13H,5,12H2,1-2H3/b4-3+
InChIKeyRHTDPHXAOBCZQO-ONEGZZNKSA-N
MW193.25 g/mol
LogP1.68
Rot. Bonds3

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

4-[(E)-3-aminoprop-1-enyl]-2-methoxy-6-methylphenol (PubChem CID 117283631) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-[(E)-3-aminoprop-1-enyl]-2-methoxy-6-methylphenol.

Molecular Properties

Compound Name4-[(E)-3-aminoprop-1-enyl]-2-methoxy-6-methylphenol
PubChem CID117283631
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name4-[(E)-3-aminoprop-1-enyl]-2-methoxy-6-methylphenol
SMILESCOc1cc(/C=C/CN)cc(C)c1O
InChIInChI=1S/C11H15NO2/c1-8-6-9(4-3-5-12)7-10(14-2)11(8)13/h3-4,6-7,13H,5,12H2,1-2H3/b4-3+
InChIKeyRHTDPHXAOBCZQO-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

4-(3-aminoprop-1-enyl)-2-chloro-6-methoxyphenol
CID 169464704
(E)-3-(4-fluoro-3-methoxy-5-methylphenyl)prop-2-en-1-amine
CID 117285338
4-[(E)-3-aminoprop-1-enyl]-2-methoxy-6-(trifluoromethyl)phenol
CID 117369569
2-methoxy-6-methyl-4-[(E)-prop-1-enyl]phenol
CID 45266886
(1E,4E)-1-(4-hydroxy-3-methoxy-5-methylphenyl)hepta-1,4-dien-3-one
CID 146846078
2-amino-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenol
CID 25033053
4-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenol
CID 71361751
(E)-3-(7-methoxy-3-methyl-1H-indol-5-yl)prop-2-en-1-amine
CID 117308381
2-[(E)-3-aminoprop-1-enyl]-6-methoxy-3-methylphenol
CID 117283641
5-[(E)-3-aminoprop-1-enyl]-3-ethoxy-2-methoxyphenol
CID 117319602
4-[(E)-3-ethoxyprop-1-enyl]-2,6-dimethoxyphenol
CID 13436193
(E)-3-[3-(fluoromethyl)-4,5-dimethoxyphenyl]prop-2-en-1-amine
CID 117323427

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-aminoprop-1-enyl]-2-methoxy-6-methylphenol?
The IUPAC name of 4-[(E)-3-aminoprop-1-enyl]-2-methoxy-6-methylphenol (CID 117283631) is 4-[(E)-3-aminoprop-1-enyl]-2-methoxy-6-methylphenol.
What is the SMILES notation for 4-[(E)-3-aminoprop-1-enyl]-2-methoxy-6-methylphenol?
The canonical SMILES for 4-[(E)-3-aminoprop-1-enyl]-2-methoxy-6-methylphenol is COc1cc(/C=C/CN)cc(C)c1O.
What is the InChIKey of 4-[(E)-3-aminoprop-1-enyl]-2-methoxy-6-methylphenol?
The InChIKey is RHTDPHXAOBCZQO-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H15NO2/c1-8-6-9(4-3-5-12)7-10(14-2)11(8)13/h3-4,6-7,13H,5,12H2,1-2H3/b4-3+.
What are the key properties of 4-[(E)-3-aminoprop-1-enyl]-2-methoxy-6-methylphenol?
4-[(E)-3-aminoprop-1-enyl]-2-methoxy-6-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 4-[(E)-3-aminoprop-1-enyl]-2-methoxy-6-methylphenol is sourced from PubChem (CID 117283631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).