4-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]benzene-1,2,3-triol

C15H20N2O4 — CID 103953071

IUPAC4-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]benzene-1,2,3-triol
SMILESCN(C)C(CNCc1ccc(O)c(O)c1O)c1ccco1
InChIInChI=1S/C15H20N2O4/c1-17(2)11(13-4-3-7-21-13)9-16-8-10-5-6-12(18)15(20)14(10)19/h3-7,11,16,18-20H,8-9H2,1-2H3
InChIKeyJLRVJFQGADLCJU-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.79
Rot. Bonds6

About 4-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]benzene-1,2,3-triol

4-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]benzene-1,2,3-triol (PubChem CID 103953071) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]benzene-1,2,3-triol.

Molecular Properties

Compound Name4-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]benzene-1,2,3-triol
PubChem CID103953071
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name4-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]benzene-1,2,3-triol
SMILESCN(C)C(CNCc1ccc(O)c(O)c1O)c1ccco1
InChIInChI=1S/C15H20N2O4/c1-17(2)11(13-4-3-7-21-13)9-16-8-10-5-6-12(18)15(20)14(10)19/h3-7,11,16,18-20H,8-9H2,1-2H3
InChIKeyJLRVJFQGADLCJU-UHFFFAOYSA-N
XLogP1.79
TPSA89.10 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]-6-methoxyphenol
CID 43202369
N'-[(2-chloro-4-fluorophenyl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 103605184
N'-[(2,5-dimethylphenyl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 60658274
N'-[(2,5-difluorophenyl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 43312684
N'-[(5-chloro-2-fluorophenyl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 115761417
2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]acetic acid
CID 83380917
N'-[(3,5-dichlorophenyl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 60789165
N'-(2,2-dimethylpropyl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 61323901
4-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]benzamide
CID 43232712
5-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]furan-2-carboxylic acid
CID 63316815
1-(furan-2-yl)-N,N-dimethyl-N'-[(2-methylpyrimidin-4-yl)methyl]ethane-1,2-diamine
CID 55109777
N'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 43183533

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]benzene-1,2,3-triol?
The IUPAC name of 4-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]benzene-1,2,3-triol (CID 103953071) is 4-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]benzene-1,2,3-triol.
What is the SMILES notation for 4-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]benzene-1,2,3-triol?
The canonical SMILES for 4-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]benzene-1,2,3-triol is CN(C)C(CNCc1ccc(O)c(O)c1O)c1ccco1.
What is the InChIKey of 4-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]benzene-1,2,3-triol?
The InChIKey is JLRVJFQGADLCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-17(2)11(13-4-3-7-21-13)9-16-8-10-5-6-12(18)15(20)14(10)19/h3-7,11,16,18-20H,8-9H2,1-2H3.
What are the key properties of 4-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]benzene-1,2,3-triol?
4-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]benzene-1,2,3-triol has a molecular weight of 292.34 g/mol, XLogP of 1.79, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]benzene-1,2,3-triol is sourced from PubChem (CID 103953071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).