4-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]benzene-1,2-diol

C15H20N2O2S — CID 43182622

IUPAC4-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]benzene-1,2-diol
SMILESCN(C)C(CNCc1ccc(O)c(O)c1)c1cccs1
InChIInChI=1S/C15H20N2O2S/c1-17(2)12(15-4-3-7-20-15)10-16-9-11-5-6-13(18)14(19)8-11/h3-8,12,16,18-19H,9-10H2,1-2H3
InChIKeyYVTAQPSJIIUWNB-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.55
Rot. Bonds6

About 4-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]benzene-1,2-diol

4-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]benzene-1,2-diol (PubChem CID 43182622) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 4-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]benzene-1,2-diol
PubChem CID43182622
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name4-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]benzene-1,2-diol
SMILESCN(C)C(CNCc1ccc(O)c(O)c1)c1cccs1
InChIInChI=1S/C15H20N2O2S/c1-17(2)12(15-4-3-7-20-15)10-16-9-11-5-6-13(18)14(19)8-11/h3-8,12,16,18-19H,9-10H2,1-2H3
InChIKeyYVTAQPSJIIUWNB-UHFFFAOYSA-N
XLogP2.55
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

N'-[(4-bromo-3-methylphenyl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 66472183
N'-[(3-cyclopropylphenyl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 79970542
3-chloro-2-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]phenol
CID 78959189
N,N-dimethyl-N'-(1,3-thiazol-5-ylmethyl)-1-thiophen-2-ylethane-1,2-diamine
CID 62760162
2-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]-6-fluorophenol
CID 115951025
N,N-dimethyl-N'-(1,3-thiazol-2-ylmethyl)-1-thiophen-2-ylethane-1,2-diamine
CID 55208645
N'-[(4-chlorothiophen-2-yl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 79420563
N'-[(2,4-difluorophenyl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 43182595
N'-[(4-fluoro-2-methylphenyl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 62134219
N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine
CID 43182619
5-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]furan-3-carboxylic acid
CID 104608110
1-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]cyclobutane-1-carboxamide
CID 81172793

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]benzene-1,2-diol?
The IUPAC name of 4-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]benzene-1,2-diol (CID 43182622) is 4-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]benzene-1,2-diol.
What is the SMILES notation for 4-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]benzene-1,2-diol?
The canonical SMILES for 4-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]benzene-1,2-diol is CN(C)C(CNCc1ccc(O)c(O)c1)c1cccs1.
What is the InChIKey of 4-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]benzene-1,2-diol?
The InChIKey is YVTAQPSJIIUWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-17(2)12(15-4-3-7-20-15)10-16-9-11-5-6-13(18)14(19)8-11/h3-8,12,16,18-19H,9-10H2,1-2H3.
What are the key properties of 4-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]benzene-1,2-diol?
4-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]benzene-1,2-diol has a molecular weight of 292.40 g/mol, XLogP of 2.55, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]benzene-1,2-diol is sourced from PubChem (CID 43182622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).