4-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]benzene-1,3-diol

C13H22N2O3 — CID 62842890

IUPAC4-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]benzene-1,3-diol
SMILESCOCCN(C)CCNCc1ccc(O)cc1O
InChIInChI=1S/C13H22N2O3/c1-15(7-8-18-2)6-5-14-10-11-3-4-12(16)9-13(11)17/h3-4,9,14,16-17H,5-8,10H2,1-2H3
InChIKeyCVOZVIPTZOZMNO-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.77
Rot. Bonds8

About 4-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]benzene-1,3-diol

4-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]benzene-1,3-diol (PubChem CID 62842890) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]benzene-1,3-diol
PubChem CID62842890
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name4-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]benzene-1,3-diol
SMILESCOCCN(C)CCNCc1ccc(O)cc1O
InChIInChI=1S/C13H22N2O3/c1-15(7-8-18-2)6-5-14-10-11-3-4-12(16)9-13(11)17/h3-4,9,14,16-17H,5-8,10H2,1-2H3
InChIKeyCVOZVIPTZOZMNO-UHFFFAOYSA-N
XLogP0.77
TPSA64.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-[(2,4-dihydroxyphenyl)methylamino]ethylamino]methyl]benzene-1,3-diol
CID 138502169
4-[[2-[butan-2-yl(methyl)amino]ethylamino]methyl]benzene-1,3-diol
CID 113232266
2-chloro-6-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]phenol
CID 112554421
3-fluoro-4-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]benzonitrile
CID 62843294
N-(1H-indol-3-ylmethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62843083
N-[(2-ethoxyphenyl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62844288
4-[[(2,4-dihydroxyphenyl)methylamino]methyl]benzene-1,3-diol
CID 154092442
N-[(2-fluoro-3-methoxyphenyl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 104791785
N-(1-benzothiophen-3-ylmethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62843966
N-[(4-ethylphenyl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62844461
4-[(3-propan-2-yloxypropylamino)methyl]benzene-1,3-diol
CID 28726669
N-[(4-chloro-2-nitrophenyl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62843095

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]benzene-1,3-diol?
The IUPAC name of 4-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]benzene-1,3-diol (CID 62842890) is 4-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]benzene-1,3-diol.
What is the SMILES notation for 4-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]benzene-1,3-diol?
The canonical SMILES for 4-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]benzene-1,3-diol is COCCN(C)CCNCc1ccc(O)cc1O.
What is the InChIKey of 4-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]benzene-1,3-diol?
The InChIKey is CVOZVIPTZOZMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-15(7-8-18-2)6-5-14-10-11-3-4-12(16)9-13(11)17/h3-4,9,14,16-17H,5-8,10H2,1-2H3.
What are the key properties of 4-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]benzene-1,3-diol?
4-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]benzene-1,3-diol has a molecular weight of 254.33 g/mol, XLogP of 0.77, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]benzene-1,3-diol is sourced from PubChem (CID 62842890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).