2-(4-but-2-ynoxy-3-ethoxyphenyl)ethanamine

C14H19NO2 — CID 62311006

IUPAC2-(4-but-2-ynoxy-3-ethoxyphenyl)ethanamine
SMILESCC#CCOc1ccc(CCN)cc1OCC
InChIInChI=1S/C14H19NO2/c1-3-5-10-17-13-7-6-12(8-9-15)11-14(13)16-4-2/h6-7,11H,4,8-10,15H2,1-2H3
InChIKeyANSXDESCUKBDCK-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.99
Rot. Bonds6

About 2-(4-but-2-ynoxy-3-ethoxyphenyl)ethanamine

2-(4-but-2-ynoxy-3-ethoxyphenyl)ethanamine (PubChem CID 62311006) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(4-but-2-ynoxy-3-ethoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-but-2-ynoxy-3-ethoxyphenyl)ethanamine
PubChem CID62311006
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-(4-but-2-ynoxy-3-ethoxyphenyl)ethanamine
SMILESCC#CCOc1ccc(CCN)cc1OCC
InChIInChI=1S/C14H19NO2/c1-3-5-10-17-13-7-6-12(8-9-15)11-14(13)16-4-2/h6-7,11H,4,8-10,15H2,1-2H3
InChIKeyANSXDESCUKBDCK-UHFFFAOYSA-N
XLogP1.99
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-but-2-ynoxy-3-(trifluoromethyl)phenyl]ethanamine
CID 63320376
2-(4-butoxy-3-ethoxyphenyl)ethanamine
CID 20982697
2-[4-(3,3-dimethylbutoxy)-3-ethoxyphenyl]ethanamine
CID 61481236
4-(2-aminoethyl)-2-ethoxyaniline
CID 91191224
2-[3-ethoxy-4-[2-(4-ethylphenoxy)ethoxy]phenyl]ethanamine
CID 22680716
1,2-diethoxy-4-propylbenzene
CID 3995471
2-[3-ethoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]ethanamine
CID 20993016
2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-methylacetamide
CID 54931035
2-[4-[2-(2,5-dimethylphenoxy)ethoxy]-3-ethoxyphenyl]ethanamine
CID 22681578
2-[5-(2-aminoethyl)-2-methoxyphenoxy]acetonitrile
CID 60904745
2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-ethyl-N-methylacetamide
CID 60906427
2-[3-ethoxy-4-(4-methylcyclohexyl)oxyphenyl]ethanamine
CID 64773825

Frequently Asked Questions

What is the IUPAC name of 2-(4-but-2-ynoxy-3-ethoxyphenyl)ethanamine?
The IUPAC name of 2-(4-but-2-ynoxy-3-ethoxyphenyl)ethanamine (CID 62311006) is 2-(4-but-2-ynoxy-3-ethoxyphenyl)ethanamine.
What is the SMILES notation for 2-(4-but-2-ynoxy-3-ethoxyphenyl)ethanamine?
The canonical SMILES for 2-(4-but-2-ynoxy-3-ethoxyphenyl)ethanamine is CC#CCOc1ccc(CCN)cc1OCC.
What is the InChIKey of 2-(4-but-2-ynoxy-3-ethoxyphenyl)ethanamine?
The InChIKey is ANSXDESCUKBDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-5-10-17-13-7-6-12(8-9-15)11-14(13)16-4-2/h6-7,11H,4,8-10,15H2,1-2H3.
What are the key properties of 2-(4-but-2-ynoxy-3-ethoxyphenyl)ethanamine?
2-(4-but-2-ynoxy-3-ethoxyphenyl)ethanamine has a molecular weight of 233.31 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-but-2-ynoxy-3-ethoxyphenyl)ethanamine is sourced from PubChem (CID 62311006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).