2-(4-methoxy-N,2,5-trimethylanilino)ethanol

C12H19NO2 — CID 115216098

IUPAC2-(4-methoxy-N,2,5-trimethylanilino)ethanol
SMILESCOc1cc(C)c(N(C)CCO)cc1C
InChIInChI=1S/C12H19NO2/c1-9-8-12(15-4)10(2)7-11(9)13(3)5-6-14/h7-8,14H,5-6H2,1-4H3
InChIKeySYHXLNJSFFYEGR-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.74
Rot. Bonds4

About 2-(4-methoxy-N,2,5-trimethylanilino)ethanol

2-(4-methoxy-N,2,5-trimethylanilino)ethanol (PubChem CID 115216098) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(4-methoxy-N,2,5-trimethylanilino)ethanol.

Molecular Properties

Compound Name2-(4-methoxy-N,2,5-trimethylanilino)ethanol
PubChem CID115216098
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-(4-methoxy-N,2,5-trimethylanilino)ethanol
SMILESCOc1cc(C)c(N(C)CCO)cc1C
InChIInChI=1S/C12H19NO2/c1-9-8-12(15-4)10(2)7-11(9)13(3)5-6-14/h7-8,14H,5-6H2,1-4H3
InChIKeySYHXLNJSFFYEGR-UHFFFAOYSA-N
XLogP1.74
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-methoxy-N,2,5-trimethylanilino)ethanol 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

4-(2,5-dimethoxy-N,4-dimethylanilino)butan-1-ol
CID 115217502
5-(4-methoxy-N,2,5-trimethylanilino)pentan-2-one
CID 115236337
2-amino-3-(4-methoxy-N,2,5-trimethylanilino)propan-1-ol
CID 115120401
[1-[(4-methoxy-N,2,5-trimethylanilino)methyl]cyclopropyl]methanol
CID 115243345
N-cyclopropyl-N'-(4-methoxy-2,5-dimethylphenyl)-N'-methylethane-1,2-diamine
CID 115206845
2-(4,5-dimethoxy-N,2-dimethylanilino)ethanethiol
CID 115223827
N-(2-chloroethyl)-4,5-dimethoxy-N,2-dimethylaniline
CID 115214735
N'-(4,5-dimethoxy-2-methylphenyl)-N'-methylethane-1,2-diamine
CID 96672674
ethane;2-(3-methoxy-N,4-dimethylanilino)ethanol
CID 144692969
N-(2-chloroethyl)-2,5-dimethoxy-N,4-dimethylaniline
CID 115214731
4-(2,5-dimethoxy-N,4-dimethylanilino)butan-2-one
CID 115235537
2-(2,4-dimethoxy-N,3-dimethylanilino)ethanol
CID 115216133

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-N,2,5-trimethylanilino)ethanol?
The IUPAC name of 2-(4-methoxy-N,2,5-trimethylanilino)ethanol (CID 115216098) is 2-(4-methoxy-N,2,5-trimethylanilino)ethanol.
What is the SMILES notation for 2-(4-methoxy-N,2,5-trimethylanilino)ethanol?
The canonical SMILES for 2-(4-methoxy-N,2,5-trimethylanilino)ethanol is COc1cc(C)c(N(C)CCO)cc1C.
What is the InChIKey of 2-(4-methoxy-N,2,5-trimethylanilino)ethanol?
The InChIKey is SYHXLNJSFFYEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-9-8-12(15-4)10(2)7-11(9)13(3)5-6-14/h7-8,14H,5-6H2,1-4H3.
What are the key properties of 2-(4-methoxy-N,2,5-trimethylanilino)ethanol?
2-(4-methoxy-N,2,5-trimethylanilino)ethanol has a molecular weight of 209.29 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-N,2,5-trimethylanilino)ethanol is sourced from PubChem (CID 115216098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).