4-[[2-(dimethylamino)ethylamino]methyl]benzene-1,2-diol

C11H18N2O2 — CID 4663866

IUPAC4-[[2-(dimethylamino)ethylamino]methyl]benzene-1,2-diol
SMILESCN(C)CCNCc1ccc(O)c(O)c1
InChIInChI=1S/C11H18N2O2/c1-13(2)6-5-12-8-9-3-4-10(14)11(15)7-9/h3-4,7,12,14-15H,5-6,8H2,1-2H3
InChIKeyLCBTUDIELATKFG-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.75
Rot. Bonds5

About 4-[[2-(dimethylamino)ethylamino]methyl]benzene-1,2-diol

4-[[2-(dimethylamino)ethylamino]methyl]benzene-1,2-diol (PubChem CID 4663866) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-[[2-(dimethylamino)ethylamino]methyl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[[2-(dimethylamino)ethylamino]methyl]benzene-1,2-diol
PubChem CID4663866
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name4-[[2-(dimethylamino)ethylamino]methyl]benzene-1,2-diol
SMILESCN(C)CCNCc1ccc(O)c(O)c1
InChIInChI=1S/C11H18N2O2/c1-13(2)6-5-12-8-9-3-4-10(14)11(15)7-9/h3-4,7,12,14-15H,5-6,8H2,1-2H3
InChIKeyLCBTUDIELATKFG-UHFFFAOYSA-N
XLogP0.75
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-[2-[(3,4-dihydroxyphenyl)methylamino]ethyl]benzene-1,2-diol
CID 3027257
4-[(2-hydroxyethylamino)methyl]benzene-1,2-diol
CID 28832999
tert-butyl N-[2-[(3,4-dihydroxyphenyl)methylamino]ethyl]-N-methylcarbamate
CID 103953299
N-[(3,4-dichlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 5222337
4-[(3-hydroxypropylamino)methyl]benzene-1,2-diol
CID 28714440
N-[(4-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 3576210
4-[2-(dimethylamino)ethyl]benzene-1,2-diol;hydrobromide
CID 71442477
4-[(4-hydroxybutylamino)methyl]benzene-1,2-diol
CID 106841084
4-amino-2-[[2-(dimethylamino)ethylamino]methyl]phenol
CID 153328752
N-[(3-tert-butylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 59788958
N-[(3-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 70966338
4-[(3,3,3-trifluoropropylamino)methyl]benzene-1,2-diol
CID 63226391

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(dimethylamino)ethylamino]methyl]benzene-1,2-diol?
The IUPAC name of 4-[[2-(dimethylamino)ethylamino]methyl]benzene-1,2-diol (CID 4663866) is 4-[[2-(dimethylamino)ethylamino]methyl]benzene-1,2-diol.
What is the SMILES notation for 4-[[2-(dimethylamino)ethylamino]methyl]benzene-1,2-diol?
The canonical SMILES for 4-[[2-(dimethylamino)ethylamino]methyl]benzene-1,2-diol is CN(C)CCNCc1ccc(O)c(O)c1.
What is the InChIKey of 4-[[2-(dimethylamino)ethylamino]methyl]benzene-1,2-diol?
The InChIKey is LCBTUDIELATKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-13(2)6-5-12-8-9-3-4-10(14)11(15)7-9/h3-4,7,12,14-15H,5-6,8H2,1-2H3.
What are the key properties of 4-[[2-(dimethylamino)ethylamino]methyl]benzene-1,2-diol?
4-[[2-(dimethylamino)ethylamino]methyl]benzene-1,2-diol has a molecular weight of 210.28 g/mol, XLogP of 0.75, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(dimethylamino)ethylamino]methyl]benzene-1,2-diol is sourced from PubChem (CID 4663866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).