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

C14H23NO2 — CID 107708009

IUPAC5-[1-[2,2-dimethylpropyl(methyl)amino]ethyl]benzene-1,3-diol
SMILESCC(c1cc(O)cc(O)c1)N(C)CC(C)(C)C
InChIInChI=1S/C14H23NO2/c1-10(15(5)9-14(2,3)4)11-6-12(16)8-13(17)7-11/h6-8,10,16-17H,9H2,1-5H3
InChIKeyZVBDOCJJXGCGRY-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.14
Rot. Bonds3

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

5-[1-[2,2-dimethylpropyl(methyl)amino]ethyl]benzene-1,3-diol (PubChem CID 107708009) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 5-[1-[2,2-dimethylpropyl(methyl)amino]ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[1-[2,2-dimethylpropyl(methyl)amino]ethyl]benzene-1,3-diol
PubChem CID107708009
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name5-[1-[2,2-dimethylpropyl(methyl)amino]ethyl]benzene-1,3-diol
SMILESCC(c1cc(O)cc(O)c1)N(C)CC(C)(C)C
InChIInChI=1S/C14H23NO2/c1-10(15(5)9-14(2,3)4)11-6-12(16)8-13(17)7-11/h6-8,10,16-17H,9H2,1-5H3
InChIKeyZVBDOCJJXGCGRY-UHFFFAOYSA-N
XLogP3.14
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Nap-226-90
CID 445892
3-(1-Dimethylaminoethyl)phenol
CID 409441
Ammonium, (m-hydroxybenzyl)trimethyl-, iodide
CID 213583
3-(1-(Dimethylamino)ethyl)phenol hydrochloride
CID 3029882
5-Hydroxytapentadol
CID 169502269
3-(Dimethylaminomethyl)phenol
CID 32896
3-(1,4-Dimethyl-3-propylpiperidin-2-yl)phenolato--hydrogen chlorido (1/1)
CID 71301272
Phenol, 3-(3-(1-methyl-3-propylpiperidinyl))-, hydrochloride
CID 71301393
(R)-3-(1-(Dimethylamino)ethyl)phenol
CID 10313270
(3-Hydroxyphenyl)-N,N,N-trimethylmethanaminium bromide
CID 44301330
(3-Hydroxyphenyl)methyl-dimethyl-prop-2-enylazanium bromide
CID 44301496
2-[1-(Dimethylamino)ethyl]benzene-1,4-diol;hydrochloride
CID 171347368

Frequently Asked Questions

What is the IUPAC name of 5-[1-[2,2-dimethylpropyl(methyl)amino]ethyl]benzene-1,3-diol?
The IUPAC name of 5-[1-[2,2-dimethylpropyl(methyl)amino]ethyl]benzene-1,3-diol (CID 107708009) is 5-[1-[2,2-dimethylpropyl(methyl)amino]ethyl]benzene-1,3-diol.
What is the SMILES notation for 5-[1-[2,2-dimethylpropyl(methyl)amino]ethyl]benzene-1,3-diol?
The canonical SMILES for 5-[1-[2,2-dimethylpropyl(methyl)amino]ethyl]benzene-1,3-diol is CC(c1cc(O)cc(O)c1)N(C)CC(C)(C)C.
What is the InChIKey of 5-[1-[2,2-dimethylpropyl(methyl)amino]ethyl]benzene-1,3-diol?
The InChIKey is ZVBDOCJJXGCGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-10(15(5)9-14(2,3)4)11-6-12(16)8-13(17)7-11/h6-8,10,16-17H,9H2,1-5H3.
What are the key properties of 5-[1-[2,2-dimethylpropyl(methyl)amino]ethyl]benzene-1,3-diol?
5-[1-[2,2-dimethylpropyl(methyl)amino]ethyl]benzene-1,3-diol has a molecular weight of 237.34 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2,2-dimethylpropyl(methyl)amino]ethyl]benzene-1,3-diol is sourced from PubChem (CID 107708009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).