2-[3-methoxy-4-(methylamino)anilino]oxyethanol

C10H16N2O3 — CID 19800593

IUPAC2-[3-methoxy-4-(methylamino)anilino]oxyethanol
SMILESCNc1ccc(NOCCO)cc1OC
InChIInChI=1S/C10H16N2O3/c1-11-9-4-3-8(7-10(9)14-2)12-15-6-5-13/h3-4,7,11-13H,5-6H2,1-2H3
InChIKeyLBJZCXHXXOMJQE-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.07
Rot. Bonds6

About 2-[3-methoxy-4-(methylamino)anilino]oxyethanol

2-[3-methoxy-4-(methylamino)anilino]oxyethanol (PubChem CID 19800593) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-[3-methoxy-4-(methylamino)anilino]oxyethanol.

Molecular Properties

Compound Name2-[3-methoxy-4-(methylamino)anilino]oxyethanol
PubChem CID19800593
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name2-[3-methoxy-4-(methylamino)anilino]oxyethanol
SMILESCNc1ccc(NOCCO)cc1OC
InChIInChI=1S/C10H16N2O3/c1-11-9-4-3-8(7-10(9)14-2)12-15-6-5-13/h3-4,7,11-13H,5-6H2,1-2H3
InChIKeyLBJZCXHXXOMJQE-UHFFFAOYSA-N
XLogP1.07
TPSA62.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[3-methoxy-4-(methylamino)anilino]oxyethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dimethoxy-N-methylaniline;ethane
CID 143206191
2-hydroxyethyl N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]carbamate
CID 79346534
(1Z)-1-[3-methoxy-4-(methylamino)phenyl]buta-1,3-dien-1-ol
CID 142247032
2-[2-methoxy-5-(piperidin-4-ylamino)phenoxy]ethanol
CID 54906415
2-[5-(hexan-2-ylamino)-2-methoxyphenoxy]ethanol
CID 43792374
4-ethoxy-3-methoxy-N-methylaniline
CID 63089329
3-[3-(2-hydroxyethoxy)-4-methoxyanilino]-3-oxopropanoic acid
CID 55049598
4-N-acridin-9-yl-2-methoxy-1-N-methylbenzene-1,4-diamine
CID 10616345
2-[3-(2-hydroxyethoxy)-4-methoxyanilino]propanoic acid
CID 66173740
2-methoxy-N-methyl-4-(propan-2-yloxymethyl)aniline
CID 174335171
N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-2-methoxypropanamide
CID 112547835
ethane;3-methoxy-4-(methylamino)benzonitrile
CID 176701430

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-4-(methylamino)anilino]oxyethanol?
The IUPAC name of 2-[3-methoxy-4-(methylamino)anilino]oxyethanol (CID 19800593) is 2-[3-methoxy-4-(methylamino)anilino]oxyethanol.
What is the SMILES notation for 2-[3-methoxy-4-(methylamino)anilino]oxyethanol?
The canonical SMILES for 2-[3-methoxy-4-(methylamino)anilino]oxyethanol is CNc1ccc(NOCCO)cc1OC.
What is the InChIKey of 2-[3-methoxy-4-(methylamino)anilino]oxyethanol?
The InChIKey is LBJZCXHXXOMJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-11-9-4-3-8(7-10(9)14-2)12-15-6-5-13/h3-4,7,11-13H,5-6H2,1-2H3.
What are the key properties of 2-[3-methoxy-4-(methylamino)anilino]oxyethanol?
2-[3-methoxy-4-(methylamino)anilino]oxyethanol has a molecular weight of 212.25 g/mol, XLogP of 1.07, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-4-(methylamino)anilino]oxyethanol is sourced from PubChem (CID 19800593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).