2-[(E)-3-aminoprop-1-enyl]-4-ethyl-6-methoxyphenol

C12H17NO2 — CID 117295929

IUPAC2-[(E)-3-aminoprop-1-enyl]-4-ethyl-6-methoxyphenol
SMILESCCc1cc(/C=C/CN)c(O)c(OC)c1
InChIInChI=1S/C12H17NO2/c1-3-9-7-10(5-4-6-13)12(14)11(8-9)15-2/h4-5,7-8,14H,3,6,13H2,1-2H3/b5-4+
InChIKeyURYBKHPMYOISCE-SNAWJCMRSA-N
MW207.27 g/mol
LogP1.94
Rot. Bonds4

About 2-[(E)-3-aminoprop-1-enyl]-4-ethyl-6-methoxyphenol

2-[(E)-3-aminoprop-1-enyl]-4-ethyl-6-methoxyphenol (PubChem CID 117295929) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-[(E)-3-aminoprop-1-enyl]-4-ethyl-6-methoxyphenol.

Molecular Properties

Compound Name2-[(E)-3-aminoprop-1-enyl]-4-ethyl-6-methoxyphenol
PubChem CID117295929
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-[(E)-3-aminoprop-1-enyl]-4-ethyl-6-methoxyphenol
SMILESCCc1cc(/C=C/CN)c(O)c(OC)c1
InChIInChI=1S/C12H17NO2/c1-3-9-7-10(5-4-6-13)12(14)11(8-9)15-2/h4-5,7-8,14H,3,6,13H2,1-2H3/b5-4+
InChIKeyURYBKHPMYOISCE-SNAWJCMRSA-N
XLogP1.94
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(E)-3-aminoprop-1-enyl]-4-ethyl-6-methoxyphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(E)-3-aminoprop-1-enyl]-2-methoxy-6-methylphenol
CID 117283631
(E)-3-(5-ethyl-2,3-difluorophenyl)prop-2-en-1-amine
CID 117286859
5-[(5-ethyl-2-hydroxy-3-methoxyphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168597771
4-(3-aminoprop-1-enyl)-2-chloro-6-methoxyphenol
CID 169464704
5-[(E)-3-aminoprop-1-enyl]-2-fluoro-4-methoxyphenol
CID 117286690
(E)-3-(3-ethyl-5-methoxyphenyl)prop-2-en-1-amine
CID 117282502
2-(3-aminoprop-1-enyl)-4-hydroxy-5-methoxybenzaldehyde
CID 169464063
(E)-3-(2-chloro-4,5-dimethoxyphenyl)prop-2-en-1-amine
CID 117327748
5-[2-(3-formyl-4-hydroxy-5-methoxyphenyl)ethyl]-2-hydroxy-3-methoxybenzaldehyde
CID 87078799
6-[(E)-3-aminoprop-1-enyl]-4-bromo-2-methoxy-3-methylphenol
CID 117432734
2-[1-(aminomethyl)cyclopropyl]-4-ethyl-6-methoxyphenol
CID 117316384
(E)-3-(3-chloro-5-ethyl-2-fluorophenyl)prop-2-en-1-amine
CID 117304732

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-aminoprop-1-enyl]-4-ethyl-6-methoxyphenol?
The IUPAC name of 2-[(E)-3-aminoprop-1-enyl]-4-ethyl-6-methoxyphenol (CID 117295929) is 2-[(E)-3-aminoprop-1-enyl]-4-ethyl-6-methoxyphenol.
What is the SMILES notation for 2-[(E)-3-aminoprop-1-enyl]-4-ethyl-6-methoxyphenol?
The canonical SMILES for 2-[(E)-3-aminoprop-1-enyl]-4-ethyl-6-methoxyphenol is CCc1cc(/C=C/CN)c(O)c(OC)c1.
What is the InChIKey of 2-[(E)-3-aminoprop-1-enyl]-4-ethyl-6-methoxyphenol?
The InChIKey is URYBKHPMYOISCE-SNAWJCMRSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-9-7-10(5-4-6-13)12(14)11(8-9)15-2/h4-5,7-8,14H,3,6,13H2,1-2H3/b5-4+.
What are the key properties of 2-[(E)-3-aminoprop-1-enyl]-4-ethyl-6-methoxyphenol?
2-[(E)-3-aminoprop-1-enyl]-4-ethyl-6-methoxyphenol has a molecular weight of 207.27 g/mol, XLogP of 1.94, 4 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]-4-ethyl-6-methoxyphenol is sourced from PubChem (CID 117295929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).