2-(3,4,5-trimethoxyanilino)ethanol

C11H17NO4 — CID 28571961

IUPAC2-(3,4,5-trimethoxyanilino)ethanol
SMILESCOc1cc(NCCO)cc(OC)c1OC
InChIInChI=1S/C11H17NO4/c1-14-9-6-8(12-4-5-13)7-10(15-2)11(9)16-3/h6-7,12-13H,4-5H2,1-3H3
InChIKeyNBJQSHMDRPAEBQ-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.12
Rot. Bonds6

About 2-(3,4,5-trimethoxyanilino)ethanol

2-(3,4,5-trimethoxyanilino)ethanol (PubChem CID 28571961) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-(3,4,5-trimethoxyanilino)ethanol.

Molecular Properties

Compound Name2-(3,4,5-trimethoxyanilino)ethanol
PubChem CID28571961
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name2-(3,4,5-trimethoxyanilino)ethanol
SMILESCOc1cc(NCCO)cc(OC)c1OC
InChIInChI=1S/C11H17NO4/c1-14-9-6-8(12-4-5-13)7-10(15-2)11(9)16-3/h6-7,12-13H,4-5H2,1-3H3
InChIKeyNBJQSHMDRPAEBQ-UHFFFAOYSA-N
XLogP1.12
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(3,4,5-trimethoxyanilino)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

3-(3,4,5-trimethoxyanilino)propane-1-thiol
CID 115224657
N-hexyl-3,4,5-trimethoxyaniline
CID 28876878
2-(3-amino-4-methoxy-5-methylanilino)ethanol
CID 143181854
N-cyclopropyl-N'-(3,4,5-trimethoxyphenyl)ethane-1,2-diamine
CID 115206789
3,4,5-trimethoxy-N-[3-(2-methoxyethoxy)propyl]aniline
CID 103409297
3,4,5-trimethoxy-N-[2-(2-methylpropoxy)ethyl]aniline
CID 106451208
ethane;2-(4-methoxy-3-methylanilino)ethanol
CID 142353980
N-butyl-3-(3,4,5-trimethoxyanilino)propanamide
CID 109012336
1-(3-hydroxypropyl)-3-(3,4,5-trimethoxyphenyl)thiourea
CID 17272370
2,2-dimethyl-5-(3,4,5-trimethoxyanilino)pentanenitrile
CID 65257056
2-(3-amino-4-methoxyanilino)ethanol;hydrochloride
CID 154637919
N-(3,4-dichlorophenyl)-3-(3,4,5-trimethoxyanilino)propanamide
CID 109042527

Frequently Asked Questions

What is the IUPAC name of 2-(3,4,5-trimethoxyanilino)ethanol?
The IUPAC name of 2-(3,4,5-trimethoxyanilino)ethanol (CID 28571961) is 2-(3,4,5-trimethoxyanilino)ethanol.
What is the SMILES notation for 2-(3,4,5-trimethoxyanilino)ethanol?
The canonical SMILES for 2-(3,4,5-trimethoxyanilino)ethanol is COc1cc(NCCO)cc(OC)c1OC.
What is the InChIKey of 2-(3,4,5-trimethoxyanilino)ethanol?
The InChIKey is NBJQSHMDRPAEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-14-9-6-8(12-4-5-13)7-10(15-2)11(9)16-3/h6-7,12-13H,4-5H2,1-3H3.
What are the key properties of 2-(3,4,5-trimethoxyanilino)ethanol?
2-(3,4,5-trimethoxyanilino)ethanol has a molecular weight of 227.26 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,5-trimethoxyanilino)ethanol is sourced from PubChem (CID 28571961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).