4-[2-(dipropylamino)ethyl]benzene-1,2-diol

C14H23NO2 — CID 3106

IUPAC4-[2-(dipropylamino)ethyl]benzene-1,2-diol
SMILESCCCN(CCC)CCc1ccc(O)c(O)c1
InChIInChI=1S/C14H23NO2/c1-3-8-15(9-4-2)10-7-12-5-6-13(16)14(17)11-12/h5-6,11,16-17H,3-4,7-10H2,1-2H3
InChIKeyLMYSNFBROWBKMB-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.76
Rot. Bonds7

About 4-[2-(dipropylamino)ethyl]benzene-1,2-diol

4-[2-(dipropylamino)ethyl]benzene-1,2-diol (PubChem CID 3106) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 4-[2-(dipropylamino)ethyl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[2-(dipropylamino)ethyl]benzene-1,2-diol
PubChem CID3106
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name4-[2-(dipropylamino)ethyl]benzene-1,2-diol
SMILESCCCN(CCC)CCc1ccc(O)c(O)c1
InChIInChI=1S/C14H23NO2/c1-3-8-15(9-4-2)10-7-12-5-6-13(16)14(17)11-12/h5-6,11,16-17H,3-4,7-10H2,1-2H3
InChIKeyLMYSNFBROWBKMB-UHFFFAOYSA-N
XLogP2.76
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(dipropylamino)ethyl]benzene-1,2-diol?
The IUPAC name of 4-[2-(dipropylamino)ethyl]benzene-1,2-diol (CID 3106) is 4-[2-(dipropylamino)ethyl]benzene-1,2-diol.
What is the SMILES notation for 4-[2-(dipropylamino)ethyl]benzene-1,2-diol?
The canonical SMILES for 4-[2-(dipropylamino)ethyl]benzene-1,2-diol is CCCN(CCC)CCc1ccc(O)c(O)c1.
What is the InChIKey of 4-[2-(dipropylamino)ethyl]benzene-1,2-diol?
The InChIKey is LMYSNFBROWBKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-3-8-15(9-4-2)10-7-12-5-6-13(16)14(17)11-12/h5-6,11,16-17H,3-4,7-10H2,1-2H3.
What are the key properties of 4-[2-(dipropylamino)ethyl]benzene-1,2-diol?
4-[2-(dipropylamino)ethyl]benzene-1,2-diol has a molecular weight of 237.34 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dipropylamino)ethyl]benzene-1,2-diol is sourced from PubChem (CID 3106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).