2-[2-[(3,4,5-trimethoxyphenyl)methylamino]ethoxy]ethanol

C14H23NO5 — CID 17155563

IUPAC2-[2-[(3,4,5-trimethoxyphenyl)methylamino]ethoxy]ethanol
SMILESCOc1cc(CNCCOCCO)cc(OC)c1OC
InChIInChI=1S/C14H23NO5/c1-17-12-8-11(9-13(18-2)14(12)19-3)10-15-4-6-20-7-5-16/h8-9,15-16H,4-7,10H2,1-3H3
InChIKeyXEUHMAMKCJATME-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.81
Rot. Bonds10

About 2-[2-[(3,4,5-trimethoxyphenyl)methylamino]ethoxy]ethanol

2-[2-[(3,4,5-trimethoxyphenyl)methylamino]ethoxy]ethanol (PubChem CID 17155563) has the molecular formula C14H23NO5 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[2-[(3,4,5-trimethoxyphenyl)methylamino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(3,4,5-trimethoxyphenyl)methylamino]ethoxy]ethanol
PubChem CID17155563
Molecular FormulaC14H23NO5
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC Name2-[2-[(3,4,5-trimethoxyphenyl)methylamino]ethoxy]ethanol
SMILESCOc1cc(CNCCOCCO)cc(OC)c1OC
InChIInChI=1S/C14H23NO5/c1-17-12-8-11(9-13(18-2)14(12)19-3)10-15-4-6-20-7-5-16/h8-9,15-16H,4-7,10H2,1-3H3
InChIKeyXEUHMAMKCJATME-UHFFFAOYSA-N
XLogP0.81
TPSA69.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[2-[(3,4,5-trimethoxyphenyl)methylamino]ethoxy]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

2-[2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]ethoxy]ethanol;hydrochloride
CID 17155495
4-[[2-(2-hydroxyethoxy)ethylamino]methyl]-2,6-dimethoxyphenol
CID 28727979
2-[2-[(3,4,5-trimethoxyphenyl)methylamino]ethoxy]acetamide
CID 106236435
2-[3-[(3,4,5-trimethoxyphenyl)methylamino]propylamino]ethanol
CID 17214225
2-[2-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]ethoxy]ethanol;hydrochloride
CID 17155273
2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl acetate
CID 11099240
2-[2-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethoxy]ethanol
CID 17155162
N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine;hydrochloride
CID 17293493
2-[2-bromo-6-methoxy-4-[(2-methoxyethylamino)methyl]phenoxy]ethanol
CID 55218721
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2-butoxyethanamine
CID 61170090
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2-[2-(dimethylamino)ethoxy]ethanamine
CID 103080764
2-[2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]ethoxy]ethanol
CID 43220975

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3,4,5-trimethoxyphenyl)methylamino]ethoxy]ethanol?
The IUPAC name of 2-[2-[(3,4,5-trimethoxyphenyl)methylamino]ethoxy]ethanol (CID 17155563) is 2-[2-[(3,4,5-trimethoxyphenyl)methylamino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(3,4,5-trimethoxyphenyl)methylamino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(3,4,5-trimethoxyphenyl)methylamino]ethoxy]ethanol is COc1cc(CNCCOCCO)cc(OC)c1OC.
What is the InChIKey of 2-[2-[(3,4,5-trimethoxyphenyl)methylamino]ethoxy]ethanol?
The InChIKey is XEUHMAMKCJATME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5/c1-17-12-8-11(9-13(18-2)14(12)19-3)10-15-4-6-20-7-5-16/h8-9,15-16H,4-7,10H2,1-3H3.
What are the key properties of 2-[2-[(3,4,5-trimethoxyphenyl)methylamino]ethoxy]ethanol?
2-[2-[(3,4,5-trimethoxyphenyl)methylamino]ethoxy]ethanol has a molecular weight of 285.34 g/mol, XLogP of 0.81, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3,4,5-trimethoxyphenyl)methylamino]ethoxy]ethanol is sourced from PubChem (CID 17155563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).