4-[[2-aminoethyl(methyl)amino]methyl]benzene-1,2-diol

C10H16N2O2 — CID 62682581

IUPAC4-[[2-aminoethyl(methyl)amino]methyl]benzene-1,2-diol
SMILESCN(CCN)Cc1ccc(O)c(O)c1
InChIInChI=1S/C10H16N2O2/c1-12(5-4-11)7-8-2-3-9(13)10(14)6-8/h2-3,6,13-14H,4-5,7,11H2,1H3
InChIKeyIAENSWYZOLFOCZ-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.49
Rot. Bonds4

About 4-[[2-aminoethyl(methyl)amino]methyl]benzene-1,2-diol

4-[[2-aminoethyl(methyl)amino]methyl]benzene-1,2-diol (PubChem CID 62682581) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-[[2-aminoethyl(methyl)amino]methyl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[[2-aminoethyl(methyl)amino]methyl]benzene-1,2-diol
PubChem CID62682581
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name4-[[2-aminoethyl(methyl)amino]methyl]benzene-1,2-diol
SMILESCN(CCN)Cc1ccc(O)c(O)c1
InChIInChI=1S/C10H16N2O2/c1-12(5-4-11)7-8-2-3-9(13)10(14)6-8/h2-3,6,13-14H,4-5,7,11H2,1H3
InChIKeyIAENSWYZOLFOCZ-UHFFFAOYSA-N
XLogP0.49
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[3-aminopropyl(methyl)amino]methyl]benzene-1,2-diol
CID 115318850
N'-[(3,4-dichlorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 43373737
2-[[2-aminoethyl(methyl)amino]methyl]-4-chlorophenol
CID 62682725
N'-[(4-chloro-3-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 62680595
N'-[(3,4-dimethoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 43373768
4-[[3-aminopropyl(methyl)amino]methyl]-2-ethoxyphenol
CID 113285683
N'-benzyl-N'-methylethane-1,2-diamine
CID 3014812
N'-[(3-ethyl-4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 95445406
2-chloro-4-[[2-[(3,4-dichlorophenyl)methyl-methylamino]ethyl-methylamino]methyl]phenol
CID 142099000
2-chloro-4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenol
CID 82981146
4-(2-aminoethyl)benzene-1,2-diol;nickel
CID 175198518
CID 159860777
CID 159860777

Frequently Asked Questions

What is the IUPAC name of 4-[[2-aminoethyl(methyl)amino]methyl]benzene-1,2-diol?
The IUPAC name of 4-[[2-aminoethyl(methyl)amino]methyl]benzene-1,2-diol (CID 62682581) is 4-[[2-aminoethyl(methyl)amino]methyl]benzene-1,2-diol.
What is the SMILES notation for 4-[[2-aminoethyl(methyl)amino]methyl]benzene-1,2-diol?
The canonical SMILES for 4-[[2-aminoethyl(methyl)amino]methyl]benzene-1,2-diol is CN(CCN)Cc1ccc(O)c(O)c1.
What is the InChIKey of 4-[[2-aminoethyl(methyl)amino]methyl]benzene-1,2-diol?
The InChIKey is IAENSWYZOLFOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-12(5-4-11)7-8-2-3-9(13)10(14)6-8/h2-3,6,13-14H,4-5,7,11H2,1H3.
What are the key properties of 4-[[2-aminoethyl(methyl)amino]methyl]benzene-1,2-diol?
4-[[2-aminoethyl(methyl)amino]methyl]benzene-1,2-diol has a molecular weight of 196.25 g/mol, XLogP of 0.49, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-aminoethyl(methyl)amino]methyl]benzene-1,2-diol is sourced from PubChem (CID 62682581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).