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

C17H27NO2 — CID 102640724

IUPAC2-[2-(2-ethoxyphenoxy)ethyl]-N-ethyl-2-methylbut-3-en-1-amine
SMILESC=CC(C)(CCOc1ccccc1OCC)CNCC
InChIInChI=1S/C17H27NO2/c1-5-17(4,14-18-6-2)12-13-20-16-11-9-8-10-15(16)19-7-3/h5,8-11,18H,1,6-7,12-14H2,2-4H3
InChIKeyOTSUVVVFJOJNQF-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.66
Rot. Bonds10

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

2-[2-(2-ethoxyphenoxy)ethyl]-N-ethyl-2-methylbut-3-en-1-amine (PubChem CID 102640724) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[2-(2-ethoxyphenoxy)ethyl]-N-ethyl-2-methylbut-3-en-1-amine.

Molecular Properties

Compound Name2-[2-(2-ethoxyphenoxy)ethyl]-N-ethyl-2-methylbut-3-en-1-amine
PubChem CID102640724
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-[2-(2-ethoxyphenoxy)ethyl]-N-ethyl-2-methylbut-3-en-1-amine
SMILESC=CC(C)(CCOc1ccccc1OCC)CNCC
InChIInChI=1S/C17H27NO2/c1-5-17(4,14-18-6-2)12-13-20-16-11-9-8-10-15(16)19-7-3/h5,8-11,18H,1,6-7,12-14H2,2-4H3
InChIKeyOTSUVVVFJOJNQF-UHFFFAOYSA-N
XLogP3.66
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(bromomethyl)-3-methylpent-4-enoxy]-2-ethoxybenzene
CID 102642202
4-(2-ethoxyphenoxy)-2,2-dimethylbutan-1-ol
CID 66024501
2-(2-ethoxyphenyl)-1-(ethylamino)propan-2-ol
CID 62773390
N-ethyl-2-methyl-2-[(2-methylphenyl)methyl]but-3-en-1-amine
CID 102640742
2-cyclopropyl-N-ethyl-4-(2-methoxyphenoxy)-2-methylbutan-1-amine
CID 83159411
N-[2-(2-ethoxyphenoxy)ethyl]-2-methylpropan-2-amine
CID 55070885
5-(2-ethoxyphenoxy)-2,2-dimethylpentanenitrile
CID 65257214
N-ethyl-2-(2-prop-2-enoxyphenoxy)ethanamine;hydrochloride
CID 6458959
1-[2-(2-ethoxyphenoxy)ethylamino]-2,4-dimethylpentan-2-ol
CID 66174057
N-[2-(2-ethoxyphenoxy)ethyl]-2-methylbutan-2-amine
CID 55088165
methyl 2-(aminomethyl)-4-(2-ethoxyphenoxy)-2-methylbutanoate
CID 106487877
2-ethoxybenzaldehyde;hydrofluoride
CID 157329385

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethoxyphenoxy)ethyl]-N-ethyl-2-methylbut-3-en-1-amine?
The IUPAC name of 2-[2-(2-ethoxyphenoxy)ethyl]-N-ethyl-2-methylbut-3-en-1-amine (CID 102640724) is 2-[2-(2-ethoxyphenoxy)ethyl]-N-ethyl-2-methylbut-3-en-1-amine.
What is the SMILES notation for 2-[2-(2-ethoxyphenoxy)ethyl]-N-ethyl-2-methylbut-3-en-1-amine?
The canonical SMILES for 2-[2-(2-ethoxyphenoxy)ethyl]-N-ethyl-2-methylbut-3-en-1-amine is C=CC(C)(CCOc1ccccc1OCC)CNCC.
What is the InChIKey of 2-[2-(2-ethoxyphenoxy)ethyl]-N-ethyl-2-methylbut-3-en-1-amine?
The InChIKey is OTSUVVVFJOJNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-5-17(4,14-18-6-2)12-13-20-16-11-9-8-10-15(16)19-7-3/h5,8-11,18H,1,6-7,12-14H2,2-4H3.
What are the key properties of 2-[2-(2-ethoxyphenoxy)ethyl]-N-ethyl-2-methylbut-3-en-1-amine?
2-[2-(2-ethoxyphenoxy)ethyl]-N-ethyl-2-methylbut-3-en-1-amine has a molecular weight of 277.41 g/mol, XLogP of 3.66, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethoxyphenoxy)ethyl]-N-ethyl-2-methylbut-3-en-1-amine is sourced from PubChem (CID 102640724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).