3-[4-(2-aminoethyl)phenoxy]butan-2-ol

C12H19NO2 — CID 106940166

IUPAC3-[4-(2-aminoethyl)phenoxy]butan-2-ol
SMILESCC(O)C(C)Oc1ccc(CCN)cc1
InChIInChI=1S/C12H19NO2/c1-9(14)10(2)15-12-5-3-11(4-6-12)7-8-13/h3-6,9-10,14H,7-8,13H2,1-2H3
InChIKeyWQJSSIZBDYTOJO-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.34
Rot. Bonds5

About 3-[4-(2-aminoethyl)phenoxy]butan-2-ol

3-[4-(2-aminoethyl)phenoxy]butan-2-ol (PubChem CID 106940166) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-[4-(2-aminoethyl)phenoxy]butan-2-ol.

Molecular Properties

Compound Name3-[4-(2-aminoethyl)phenoxy]butan-2-ol
PubChem CID106940166
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name3-[4-(2-aminoethyl)phenoxy]butan-2-ol
SMILESCC(O)C(C)Oc1ccc(CCN)cc1
InChIInChI=1S/C12H19NO2/c1-9(14)10(2)15-12-5-3-11(4-6-12)7-8-13/h3-6,9-10,14H,7-8,13H2,1-2H3
InChIKeyWQJSSIZBDYTOJO-UHFFFAOYSA-N
XLogP1.34
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-butylphenoxy)butan-2-ol
CID 115492969
2-[4-(4-propan-2-yloxyphenyl)phenyl]ethanamine
CID 39357518
2-[4-(2-aminoethyl)phenoxy]-N-prop-2-enylpropanamide
CID 54931120
1-(3-methylbutan-2-yloxy)-4-propylbenzene
CID 147712786
2-[4-(3-methylbutoxy)phenyl]ethanamine
CID 16786544
5-(4-propan-2-yloxyphenyl)pentan-1-amine
CID 54244328
2-[4-(2-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide
CID 16773407
[4-(2-aminoethyl)phenyl] hydrogen carbonate;hydrochloride
CID 171616803
2-[4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethanamine
CID 152682360
2-[4-(2-methylbutoxy)phenyl]ethanamine
CID 62105840
3-amino-2-hydroxy-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide
CID 115180759
2-[4-(2-aminoethyl)phenyl]ethanamine;hydroiodide
CID 175484243

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-aminoethyl)phenoxy]butan-2-ol?
The IUPAC name of 3-[4-(2-aminoethyl)phenoxy]butan-2-ol (CID 106940166) is 3-[4-(2-aminoethyl)phenoxy]butan-2-ol.
What is the SMILES notation for 3-[4-(2-aminoethyl)phenoxy]butan-2-ol?
The canonical SMILES for 3-[4-(2-aminoethyl)phenoxy]butan-2-ol is CC(O)C(C)Oc1ccc(CCN)cc1.
What is the InChIKey of 3-[4-(2-aminoethyl)phenoxy]butan-2-ol?
The InChIKey is WQJSSIZBDYTOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-9(14)10(2)15-12-5-3-11(4-6-12)7-8-13/h3-6,9-10,14H,7-8,13H2,1-2H3.
What are the key properties of 3-[4-(2-aminoethyl)phenoxy]butan-2-ol?
3-[4-(2-aminoethyl)phenoxy]butan-2-ol has a molecular weight of 209.29 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-aminoethyl)phenoxy]butan-2-ol is sourced from PubChem (CID 106940166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).