4-[(E)-3-(ethylamino)but-1-enyl]-2-methoxyphenol

C13H19NO2 — CID 103092341

IUPAC4-[(E)-3-(ethylamino)but-1-enyl]-2-methoxyphenol
SMILESCCNC(C)/C=C/c1ccc(O)c(OC)c1
InChIInChI=1S/C13H19NO2/c1-4-14-10(2)5-6-11-7-8-12(15)13(9-11)16-3/h5-10,14-15H,4H2,1-3H3/b6-5+
InChIKeyLMNGUQXULHLFMU-AATRIKPKSA-N
MW221.30 g/mol
LogP2.41
Rot. Bonds5

About 4-[(E)-3-(ethylamino)but-1-enyl]-2-methoxyphenol

4-[(E)-3-(ethylamino)but-1-enyl]-2-methoxyphenol (PubChem CID 103092341) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-[(E)-3-(ethylamino)but-1-enyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[(E)-3-(ethylamino)but-1-enyl]-2-methoxyphenol
PubChem CID103092341
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name4-[(E)-3-(ethylamino)but-1-enyl]-2-methoxyphenol
SMILESCCNC(C)/C=C/c1ccc(O)c(OC)c1
InChIInChI=1S/C13H19NO2/c1-4-14-10(2)5-6-11-7-8-12(15)13(9-11)16-3/h5-10,14-15H,4H2,1-3H3/b6-5+
InChIKeyLMNGUQXULHLFMU-AATRIKPKSA-N
XLogP2.41
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-4-(3-chloro-4-methoxyphenyl)-N-ethylbut-3-en-2-amine
CID 103092349
4-[(E)-3-hydroxybut-1-enyl]-2-methoxyphenol
CID 102548714
(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-diol
CID 11793638
(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 969516
(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione;silver
CID 174575212
4-[(E)-2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenyl]ethenyl]-2-methoxyphenol
CID 11406193
4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2-methoxyphenol
CID 10377070
benzene;(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 174945129
4-[(2R)-2-(ethylamino)propyl]-2-methoxyphenol
CID 100950888
4-[(1E,3E)-4-(3,4-dimethoxyphenyl)buta-1,3-dienyl]-2-methoxyphenol
CID 87643823
(E)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)tetradec-1-en-5-one
CID 11462190
(E)-N-ethyl-4-(2,3,4-trimethoxyphenyl)but-3-en-2-amine
CID 103092393

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-(ethylamino)but-1-enyl]-2-methoxyphenol?
The IUPAC name of 4-[(E)-3-(ethylamino)but-1-enyl]-2-methoxyphenol (CID 103092341) is 4-[(E)-3-(ethylamino)but-1-enyl]-2-methoxyphenol.
What is the SMILES notation for 4-[(E)-3-(ethylamino)but-1-enyl]-2-methoxyphenol?
The canonical SMILES for 4-[(E)-3-(ethylamino)but-1-enyl]-2-methoxyphenol is CCNC(C)/C=C/c1ccc(O)c(OC)c1.
What is the InChIKey of 4-[(E)-3-(ethylamino)but-1-enyl]-2-methoxyphenol?
The InChIKey is LMNGUQXULHLFMU-AATRIKPKSA-N. The full InChI is InChI=1S/C13H19NO2/c1-4-14-10(2)5-6-11-7-8-12(15)13(9-11)16-3/h5-10,14-15H,4H2,1-3H3/b6-5+.
What are the key properties of 4-[(E)-3-(ethylamino)but-1-enyl]-2-methoxyphenol?
4-[(E)-3-(ethylamino)but-1-enyl]-2-methoxyphenol has a molecular weight of 221.30 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-(ethylamino)but-1-enyl]-2-methoxyphenol is sourced from PubChem (CID 103092341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).