3-[2-(diethylamino)ethyl]-2-prop-2-enylphenol;formaldehyde

C16H25NO2 — CID 174409044

IUPAC3-[2-(diethylamino)ethyl]-2-prop-2-enylphenol;formaldehyde
SMILESC=CCc1c(O)cccc1CCN(CC)CC.C=O
InChIInChI=1S/C15H23NO.CH2O/c1-4-8-14-13(9-7-10-15(14)17)11-12-16(5-2)6-3;1-2/h4,7,9-10,17H,1,5-6,8,11-12H2,2-3H3;1H2
InChIKeyDCZUKLIHGIULDL-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.82
Rot. Bonds7

About 3-[2-(diethylamino)ethyl]-2-prop-2-enylphenol;formaldehyde

3-[2-(diethylamino)ethyl]-2-prop-2-enylphenol;formaldehyde (PubChem CID 174409044) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-[2-(diethylamino)ethyl]-2-prop-2-enylphenol;formaldehyde.

Molecular Properties

Compound Name3-[2-(diethylamino)ethyl]-2-prop-2-enylphenol;formaldehyde
PubChem CID174409044
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-[2-(diethylamino)ethyl]-2-prop-2-enylphenol;formaldehyde
SMILESC=CCc1c(O)cccc1CCN(CC)CC.C=O
InChIInChI=1S/C15H23NO.CH2O/c1-4-8-14-13(9-7-10-15(14)17)11-12-16(5-2)6-3;1-2/h4,7,9-10,17H,1,5-6,8,11-12H2,2-3H3;1H2
InChIKeyDCZUKLIHGIULDL-UHFFFAOYSA-N
XLogP2.82
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(diethylamino)ethyl]-2-prop-2-enylphenol;formaldehyde?
The IUPAC name of 3-[2-(diethylamino)ethyl]-2-prop-2-enylphenol;formaldehyde (CID 174409044) is 3-[2-(diethylamino)ethyl]-2-prop-2-enylphenol;formaldehyde.
What is the SMILES notation for 3-[2-(diethylamino)ethyl]-2-prop-2-enylphenol;formaldehyde?
The canonical SMILES for 3-[2-(diethylamino)ethyl]-2-prop-2-enylphenol;formaldehyde is C=CCc1c(O)cccc1CCN(CC)CC.C=O.
What is the InChIKey of 3-[2-(diethylamino)ethyl]-2-prop-2-enylphenol;formaldehyde?
The InChIKey is DCZUKLIHGIULDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO.CH2O/c1-4-8-14-13(9-7-10-15(14)17)11-12-16(5-2)6-3;1-2/h4,7,9-10,17H,1,5-6,8,11-12H2,2-3H3;1H2.
What are the key properties of 3-[2-(diethylamino)ethyl]-2-prop-2-enylphenol;formaldehyde?
3-[2-(diethylamino)ethyl]-2-prop-2-enylphenol;formaldehyde has a molecular weight of 263.38 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(diethylamino)ethyl]-2-prop-2-enylphenol;formaldehyde is sourced from PubChem (CID 174409044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).