5-[1-[ethyl(2-methylbutyl)amino]ethyl]benzene-1,3-diol

C15H25NO2 — CID 107708163

IUPAC5-[1-[ethyl(2-methylbutyl)amino]ethyl]benzene-1,3-diol
SMILESCCC(C)CN(CC)C(C)c1cc(O)cc(O)c1
InChIInChI=1S/C15H25NO2/c1-5-11(3)10-16(6-2)12(4)13-7-14(17)9-15(18)8-13/h7-9,11-12,17-18H,5-6,10H2,1-4H3
InChIKeyVAQZSYGGINNLLC-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.53
Rot. Bonds6

About 5-[1-[ethyl(2-methylbutyl)amino]ethyl]benzene-1,3-diol

5-[1-[ethyl(2-methylbutyl)amino]ethyl]benzene-1,3-diol (PubChem CID 107708163) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 5-[1-[ethyl(2-methylbutyl)amino]ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[1-[ethyl(2-methylbutyl)amino]ethyl]benzene-1,3-diol
PubChem CID107708163
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name5-[1-[ethyl(2-methylbutyl)amino]ethyl]benzene-1,3-diol
SMILESCCC(C)CN(CC)C(C)c1cc(O)cc(O)c1
InChIInChI=1S/C15H25NO2/c1-5-11(3)10-16(6-2)12(4)13-7-14(17)9-15(18)8-13/h7-9,11-12,17-18H,5-6,10H2,1-4H3
InChIKeyVAQZSYGGINNLLC-UHFFFAOYSA-N
XLogP3.53
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[ethyl(2-methylbutyl)amino]ethyl]benzene-1,3-diol?
The IUPAC name of 5-[1-[ethyl(2-methylbutyl)amino]ethyl]benzene-1,3-diol (CID 107708163) is 5-[1-[ethyl(2-methylbutyl)amino]ethyl]benzene-1,3-diol.
What is the SMILES notation for 5-[1-[ethyl(2-methylbutyl)amino]ethyl]benzene-1,3-diol?
The canonical SMILES for 5-[1-[ethyl(2-methylbutyl)amino]ethyl]benzene-1,3-diol is CCC(C)CN(CC)C(C)c1cc(O)cc(O)c1.
What is the InChIKey of 5-[1-[ethyl(2-methylbutyl)amino]ethyl]benzene-1,3-diol?
The InChIKey is VAQZSYGGINNLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-5-11(3)10-16(6-2)12(4)13-7-14(17)9-15(18)8-13/h7-9,11-12,17-18H,5-6,10H2,1-4H3.
What are the key properties of 5-[1-[ethyl(2-methylbutyl)amino]ethyl]benzene-1,3-diol?
5-[1-[ethyl(2-methylbutyl)amino]ethyl]benzene-1,3-diol has a molecular weight of 251.37 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[ethyl(2-methylbutyl)amino]ethyl]benzene-1,3-diol is sourced from PubChem (CID 107708163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).