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

C13H22N2O2 — CID 54913339

IUPAC2-[1-[2-(dimethylamino)propylamino]ethyl]benzene-1,4-diol
SMILESCC(NCC(C)N(C)C)c1cc(O)ccc1O
InChIInChI=1S/C13H22N2O2/c1-9(15(3)4)8-14-10(2)12-7-11(16)5-6-13(12)17/h5-7,9-10,14,16-17H,8H2,1-4H3
InChIKeyDOYJVLIYVWEUMX-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.70
Rot. Bonds5

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

2-[1-[2-(dimethylamino)propylamino]ethyl]benzene-1,4-diol (PubChem CID 54913339) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[1-[2-(dimethylamino)propylamino]ethyl]benzene-1,4-diol.

Molecular Properties

Compound Name2-[1-[2-(dimethylamino)propylamino]ethyl]benzene-1,4-diol
PubChem CID54913339
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-[1-[2-(dimethylamino)propylamino]ethyl]benzene-1,4-diol
SMILESCC(NCC(C)N(C)C)c1cc(O)ccc1O
InChIInChI=1S/C13H22N2O2/c1-9(15(3)4)8-14-10(2)12-7-11(16)5-6-13(12)17/h5-7,9-10,14,16-17H,8H2,1-4H3
InChIKeyDOYJVLIYVWEUMX-UHFFFAOYSA-N
XLogP1.70
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-[1-[2-[methyl(propan-2-yl)amino]ethylamino]ethyl]benzene-1,4-diol
CID 55097894
2-[1-[(4-hydroxy-2-methylbutyl)amino]ethyl]benzene-1,4-diol
CID 66090624
4-[1-[2-(dimethylamino)propylamino]ethyl]phenol
CID 61043440
2-[1-[[1-(dimethylamino)cyclobutyl]methylamino]ethyl]benzene-1,4-diol
CID 105415008
2-[1-[(2-hydroxy-2-methylpropyl)amino]ethyl]benzene-1,4-diol
CID 65102724
3-[1-(2,5-dihydroxyphenyl)ethylamino]-N,N-diethylpropanamide
CID 60926055
2-[1-[[2-(dimethylamino)-4-methylpentyl]amino]ethyl]-4-methylphenol
CID 43504787
2-[1-[(4-ethylcyclohexyl)methylamino]ethyl]benzene-1,4-diol
CID 60971982
2-[1-[2-[cyclopropyl(methyl)amino]propylamino]ethyl]-4-fluorophenol
CID 104582321
N-tert-butyl-2-[1-(2,5-dihydroxyphenyl)ethylamino]acetamide
CID 115356029
2-[1-(4-methylpentan-2-ylamino)ethyl]benzene-1,4-diol
CID 43371912
2-[1-(3,3-dimethylbutan-2-ylamino)ethyl]benzene-1,4-diol
CID 104827658

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(dimethylamino)propylamino]ethyl]benzene-1,4-diol?
The IUPAC name of 2-[1-[2-(dimethylamino)propylamino]ethyl]benzene-1,4-diol (CID 54913339) is 2-[1-[2-(dimethylamino)propylamino]ethyl]benzene-1,4-diol.
What is the SMILES notation for 2-[1-[2-(dimethylamino)propylamino]ethyl]benzene-1,4-diol?
The canonical SMILES for 2-[1-[2-(dimethylamino)propylamino]ethyl]benzene-1,4-diol is CC(NCC(C)N(C)C)c1cc(O)ccc1O.
What is the InChIKey of 2-[1-[2-(dimethylamino)propylamino]ethyl]benzene-1,4-diol?
The InChIKey is DOYJVLIYVWEUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-9(15(3)4)8-14-10(2)12-7-11(16)5-6-13(12)17/h5-7,9-10,14,16-17H,8H2,1-4H3.
What are the key properties of 2-[1-[2-(dimethylamino)propylamino]ethyl]benzene-1,4-diol?
2-[1-[2-(dimethylamino)propylamino]ethyl]benzene-1,4-diol has a molecular weight of 238.33 g/mol, XLogP of 1.70, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(dimethylamino)propylamino]ethyl]benzene-1,4-diol is sourced from PubChem (CID 54913339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).