N-[2-(4-methoxyphenoxy)ethyl]-3-methylbut-2-en-1-amine

C14H21NO2 — CID 103604210

IUPACN-[2-(4-methoxyphenoxy)ethyl]-3-methylbut-2-en-1-amine
SMILESCOc1ccc(OCCNCC=C(C)C)cc1
InChIInChI=1S/C14H21NO2/c1-12(2)8-9-15-10-11-17-14-6-4-13(16-3)5-7-14/h4-8,15H,9-11H2,1-3H3
InChIKeyPOLQANVNGMLOLA-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.63
Rot. Bonds7

About N-[2-(4-methoxyphenoxy)ethyl]-3-methylbut-2-en-1-amine

N-[2-(4-methoxyphenoxy)ethyl]-3-methylbut-2-en-1-amine (PubChem CID 103604210) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-3-methylbut-2-en-1-amine.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-3-methylbut-2-en-1-amine
PubChem CID103604210
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-3-methylbut-2-en-1-amine
SMILESCOc1ccc(OCCNCC=C(C)C)cc1
InChIInChI=1S/C14H21NO2/c1-12(2)8-9-15-10-11-17-14-6-4-13(16-3)5-7-14/h4-8,15H,9-11H2,1-3H3
InChIKeyPOLQANVNGMLOLA-UHFFFAOYSA-N
XLogP2.63
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.63
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

2-(4-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 39388259
N-(2-methoxyethyl)-3-(4-methoxyphenoxy)propan-1-amine
CID 60683313
3-iodo-N-[2-(4-methoxyphenoxy)ethyl]propan-1-amine
CID 114503775
N-[2-(4-methoxyphenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 60686611
N-[3-(4-methoxyphenoxy)propyl]acetamide
CID 60578635
1-[2-(4-methoxyphenoxy)ethylamino]-2-methylpropane-2-thiol
CID 13049074
2-[2-(4-methoxyphenoxy)ethylamino]-1-(4-methylphenyl)ethanone
CID 82101214
2,2-difluoro-3-[2-(4-methoxyphenoxy)ethylamino]propan-1-ol
CID 106176853
N-(4-acetylphenyl)-2-[2-(4-methoxyphenoxy)ethylamino]acetamide
CID 109005263
N-[2-(4-methoxyphenoxy)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 55024417
N'-[2-(4-methoxyphenoxy)ethyl]hexane-1,6-diamine
CID 83960627
N-[2-(4-methoxyphenoxy)ethyl]-N'-prop-2-enyloxamide
CID 108526449

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-3-methylbut-2-en-1-amine?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-3-methylbut-2-en-1-amine (CID 103604210) is N-[2-(4-methoxyphenoxy)ethyl]-3-methylbut-2-en-1-amine.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-3-methylbut-2-en-1-amine?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-3-methylbut-2-en-1-amine is COc1ccc(OCCNCC=C(C)C)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-3-methylbut-2-en-1-amine?
The InChIKey is POLQANVNGMLOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-12(2)8-9-15-10-11-17-14-6-4-13(16-3)5-7-14/h4-8,15H,9-11H2,1-3H3.
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-3-methylbut-2-en-1-amine?
N-[2-(4-methoxyphenoxy)ethyl]-3-methylbut-2-en-1-amine has a molecular weight of 235.33 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]-3-methylbut-2-en-1-amine is sourced from PubChem (CID 103604210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).