2-[1-[2-[methyl(propan-2-yl)amino]ethylamino]ethyl]benzene-1,4-diol

C14H24N2O2 — CID 55097894

IUPAC2-[1-[2-[methyl(propan-2-yl)amino]ethylamino]ethyl]benzene-1,4-diol
SMILESCC(NCCN(C)C(C)C)c1cc(O)ccc1O
InChIInChI=1S/C14H24N2O2/c1-10(2)16(4)8-7-15-11(3)13-9-12(17)5-6-14(13)18/h5-6,9-11,15,17-18H,7-8H2,1-4H3
InChIKeyYLBNIVBOKATTOH-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.09
Rot. Bonds6

About 2-[1-[2-[methyl(propan-2-yl)amino]ethylamino]ethyl]benzene-1,4-diol

2-[1-[2-[methyl(propan-2-yl)amino]ethylamino]ethyl]benzene-1,4-diol (PubChem CID 55097894) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-[1-[2-[methyl(propan-2-yl)amino]ethylamino]ethyl]benzene-1,4-diol.

Molecular Properties

Compound Name2-[1-[2-[methyl(propan-2-yl)amino]ethylamino]ethyl]benzene-1,4-diol
PubChem CID55097894
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-[1-[2-[methyl(propan-2-yl)amino]ethylamino]ethyl]benzene-1,4-diol
SMILESCC(NCCN(C)C(C)C)c1cc(O)ccc1O
InChIInChI=1S/C14H24N2O2/c1-10(2)16(4)8-7-15-11(3)13-9-12(17)5-6-14(13)18/h5-6,9-11,15,17-18H,7-8H2,1-4H3
InChIKeyYLBNIVBOKATTOH-UHFFFAOYSA-N
XLogP2.09
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.09
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

4-methyl-2-[1-[3-[methyl(propan-2-yl)amino]propylamino]ethyl]phenol
CID 104581681
2-[1-[2-(dimethylamino)propylamino]ethyl]benzene-1,4-diol
CID 54913339
5-[1-[2-[methyl(propan-2-yl)amino]ethylamino]ethyl]benzene-1,3-diol
CID 107706480
2-[1-[2-(dimethylamino)ethylamino]ethyl]-4-methoxyphenol
CID 16775145
3-[1-(2,5-dihydroxyphenyl)ethylamino]-N,N-diethylpropanamide
CID 60926055
2-[1-[2-[di(propan-2-yl)amino]ethylamino]ethyl]phenol
CID 43191146
N-[1-(2,4-dimethylphenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62634705
2-[1-[[1-(dimethylamino)cyclobutyl]methylamino]ethyl]benzene-1,4-diol
CID 105415008
2-[1-(2-but-3-enoxyethylamino)ethyl]benzene-1,4-diol
CID 114183605
2-[1-[(2-hydroxy-2-methylpropyl)amino]ethyl]benzene-1,4-diol
CID 65102724
N-[1-(2,4-dichlorophenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62635920
2-[1-(2-prop-2-ynylsulfanylethylamino)ethyl]benzene-1,4-diol
CID 106426559

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[methyl(propan-2-yl)amino]ethylamino]ethyl]benzene-1,4-diol?
The IUPAC name of 2-[1-[2-[methyl(propan-2-yl)amino]ethylamino]ethyl]benzene-1,4-diol (CID 55097894) is 2-[1-[2-[methyl(propan-2-yl)amino]ethylamino]ethyl]benzene-1,4-diol.
What is the SMILES notation for 2-[1-[2-[methyl(propan-2-yl)amino]ethylamino]ethyl]benzene-1,4-diol?
The canonical SMILES for 2-[1-[2-[methyl(propan-2-yl)amino]ethylamino]ethyl]benzene-1,4-diol is CC(NCCN(C)C(C)C)c1cc(O)ccc1O.
What is the InChIKey of 2-[1-[2-[methyl(propan-2-yl)amino]ethylamino]ethyl]benzene-1,4-diol?
The InChIKey is YLBNIVBOKATTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-10(2)16(4)8-7-15-11(3)13-9-12(17)5-6-14(13)18/h5-6,9-11,15,17-18H,7-8H2,1-4H3.
What are the key properties of 2-[1-[2-[methyl(propan-2-yl)amino]ethylamino]ethyl]benzene-1,4-diol?
2-[1-[2-[methyl(propan-2-yl)amino]ethylamino]ethyl]benzene-1,4-diol has a molecular weight of 252.36 g/mol, XLogP of 2.09, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[methyl(propan-2-yl)amino]ethylamino]ethyl]benzene-1,4-diol is sourced from PubChem (CID 55097894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).