2-(2,4-dimethoxy-N,3-dimethylanilino)ethanol

C12H19NO3 — CID 115216133

IUPAC2-(2,4-dimethoxy-N,3-dimethylanilino)ethanol
SMILESCOc1ccc(N(C)CCO)c(OC)c1C
InChIInChI=1S/C12H19NO3/c1-9-11(15-3)6-5-10(12(9)16-4)13(2)7-8-14/h5-6,14H,7-8H2,1-4H3
InChIKeyQXWDVVPPYJPNMG-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.44
Rot. Bonds5

About 2-(2,4-dimethoxy-N,3-dimethylanilino)ethanol

2-(2,4-dimethoxy-N,3-dimethylanilino)ethanol (PubChem CID 115216133) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-(2,4-dimethoxy-N,3-dimethylanilino)ethanol.

Molecular Properties

Compound Name2-(2,4-dimethoxy-N,3-dimethylanilino)ethanol
PubChem CID115216133
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2-(2,4-dimethoxy-N,3-dimethylanilino)ethanol
SMILESCOc1ccc(N(C)CCO)c(OC)c1C
InChIInChI=1S/C12H19NO3/c1-9-11(15-3)6-5-10(12(9)16-4)13(2)7-8-14/h5-6,14H,7-8H2,1-4H3
InChIKeyQXWDVVPPYJPNMG-UHFFFAOYSA-N
XLogP1.44
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxy-N-methyl-2,3-diphenylanilino)ethanol
CID 67427581
2-(4-methoxy-N,2,5-trimethylanilino)ethanol
CID 115216098
N-(2,4-dimethoxy-3-methylphenyl)-N-methyl-3-oxobutanamide
CID 115176301
N'-(2-methoxy-3,4-dimethylphenyl)-N,N'-dimethylpropane-1,3-diamine
CID 103434185
2-N-(2,4-dimethoxy-3-methylphenyl)-2-N-methylpropane-1,2-diamine
CID 117039909
2-(2-methoxy-N,3,4,6-tetramethylanilino)ethanol
CID 115216183
methyl 2-(4-methoxy-N,2,3-trimethylanilino)acetate
CID 115232790
2-(2,5-dimethoxy-N,3,4-trimethylanilino)ethanethiol
CID 115223892
1-N-(4-methoxy-2,3-dimethylphenyl)-1-N-methylpropane-1,2-diamine
CID 115196412
[2-(4-methoxy-2,3-dimethylphenyl)ethyl-methylamino]methanol
CID 115229495
ethane;2-(3-methoxy-N,4-dimethylanilino)ethanol
CID 144692969
2-amino-N-(4-methoxy-2,3-dimethylphenyl)-N-methylacetamide
CID 82494478

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxy-N,3-dimethylanilino)ethanol?
The IUPAC name of 2-(2,4-dimethoxy-N,3-dimethylanilino)ethanol (CID 115216133) is 2-(2,4-dimethoxy-N,3-dimethylanilino)ethanol.
What is the SMILES notation for 2-(2,4-dimethoxy-N,3-dimethylanilino)ethanol?
The canonical SMILES for 2-(2,4-dimethoxy-N,3-dimethylanilino)ethanol is COc1ccc(N(C)CCO)c(OC)c1C.
What is the InChIKey of 2-(2,4-dimethoxy-N,3-dimethylanilino)ethanol?
The InChIKey is QXWDVVPPYJPNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-9-11(15-3)6-5-10(12(9)16-4)13(2)7-8-14/h5-6,14H,7-8H2,1-4H3.
What are the key properties of 2-(2,4-dimethoxy-N,3-dimethylanilino)ethanol?
2-(2,4-dimethoxy-N,3-dimethylanilino)ethanol has a molecular weight of 225.29 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxy-N,3-dimethylanilino)ethanol is sourced from PubChem (CID 115216133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).