1-[2-(2-methoxyethoxy)phenyl]but-3-en-1-amine

C13H19NO2 — CID 116660305

IUPAC1-[2-(2-methoxyethoxy)phenyl]but-3-en-1-amine
SMILESC=CCC(N)c1ccccc1OCCOC
InChIInChI=1S/C13H19NO2/c1-3-6-12(14)11-7-4-5-8-13(11)16-10-9-15-2/h3-5,7-8,12H,1,6,9-10,14H2,2H3
InChIKeyWOQFKZYRQSHVRE-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.29
Rot. Bonds7

About 1-[2-(2-methoxyethoxy)phenyl]but-3-en-1-amine

1-[2-(2-methoxyethoxy)phenyl]but-3-en-1-amine (PubChem CID 116660305) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[2-(2-methoxyethoxy)phenyl]but-3-en-1-amine.

Molecular Properties

Compound Name1-[2-(2-methoxyethoxy)phenyl]but-3-en-1-amine
PubChem CID116660305
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-[2-(2-methoxyethoxy)phenyl]but-3-en-1-amine
SMILESC=CCC(N)c1ccccc1OCCOC
InChIInChI=1S/C13H19NO2/c1-3-6-12(14)11-7-4-5-8-13(11)16-10-9-15-2/h3-5,7-8,12H,1,6,9-10,14H2,2H3
InChIKeyWOQFKZYRQSHVRE-UHFFFAOYSA-N
XLogP2.29
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(2-ethoxyphenyl)but-3-en-1-amine
CID 171221750
1-[2-(2-methoxyethoxy)phenyl]-3-methylbutan-1-amine
CID 113438261
(1S)-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]propan-1-amine
CID 104560938
1-[2-(2-methoxyethoxy)phenyl]-2-propoxyethanamine
CID 104660008
1-[2-(2-methoxyethoxy)phenyl]-3-methylpentan-1-amine
CID 105035323
(1S)-1-[2-[3-(2-methoxyethoxy)propoxy]phenyl]propan-1-amine
CID 103402915
1-[2-(2-methoxyethoxy)phenyl]-2,3-dimethylbutan-1-amine
CID 105035367
2-amino-1-[2-(2-methoxyethoxy)phenyl]ethanol
CID 102533880
(1S)-1-(4-methoxynaphthalen-1-yl)but-3-en-1-amine
CID 171232852
methyl 2-[(1R)-1-aminobut-3-enyl]benzoate;hydrochloride
CID 171211058
3-cyclohexyl-1-[2-(2-methoxyethoxy)phenyl]propan-1-amine
CID 105035232
2-(2-methoxyethoxy)-1-(2-methoxyphenyl)ethanamine
CID 43184458

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethoxy)phenyl]but-3-en-1-amine?
The IUPAC name of 1-[2-(2-methoxyethoxy)phenyl]but-3-en-1-amine (CID 116660305) is 1-[2-(2-methoxyethoxy)phenyl]but-3-en-1-amine.
What is the SMILES notation for 1-[2-(2-methoxyethoxy)phenyl]but-3-en-1-amine?
The canonical SMILES for 1-[2-(2-methoxyethoxy)phenyl]but-3-en-1-amine is C=CCC(N)c1ccccc1OCCOC.
What is the InChIKey of 1-[2-(2-methoxyethoxy)phenyl]but-3-en-1-amine?
The InChIKey is WOQFKZYRQSHVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-6-12(14)11-7-4-5-8-13(11)16-10-9-15-2/h3-5,7-8,12H,1,6,9-10,14H2,2H3.
What are the key properties of 1-[2-(2-methoxyethoxy)phenyl]but-3-en-1-amine?
1-[2-(2-methoxyethoxy)phenyl]but-3-en-1-amine has a molecular weight of 221.30 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethoxy)phenyl]but-3-en-1-amine is sourced from PubChem (CID 116660305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).