2-methoxy-4-[1-(2-methoxyethoxyamino)ethyl]phenol

C12H19NO4 — CID 82714303

IUPAC2-methoxy-4-[1-(2-methoxyethoxyamino)ethyl]phenol
SMILESCOCCONC(C)c1ccc(O)c(OC)c1
InChIInChI=1S/C12H19NO4/c1-9(13-17-7-6-15-2)10-4-5-11(14)12(8-10)16-3/h4-5,8-9,13-14H,6-7H2,1-3H3
InChIKeyWDTZNABGSIXFMS-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.63
Rot. Bonds7

About 2-methoxy-4-[1-(2-methoxyethoxyamino)ethyl]phenol

2-methoxy-4-[1-(2-methoxyethoxyamino)ethyl]phenol (PubChem CID 82714303) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-methoxy-4-[1-(2-methoxyethoxyamino)ethyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[1-(2-methoxyethoxyamino)ethyl]phenol
PubChem CID82714303
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name2-methoxy-4-[1-(2-methoxyethoxyamino)ethyl]phenol
SMILESCOCCONC(C)c1ccc(O)c(OC)c1
InChIInChI=1S/C12H19NO4/c1-9(13-17-7-6-15-2)10-4-5-11(14)12(8-10)16-3/h4-5,8-9,13-14H,6-7H2,1-3H3
InChIKeyWDTZNABGSIXFMS-UHFFFAOYSA-N
XLogP1.63
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.63
H-Bond Donors ≤ 52
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'}

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Related Compounds

2-methoxy-4-[1-(2-methoxyethylamino)ethyl]phenol
CID 43190162
2-methoxy-4-[1-(3-methylbutylamino)ethyl]phenol
CID 43193059
4-[1-(1-hydroxypropan-2-ylamino)ethyl]-2-methoxyphenol
CID 43499613
N-(2-methoxyethoxy)-1-(4-methylphenyl)ethanamine
CID 82715665
2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]acetamide
CID 16772013
2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]ethyl carbamate
CID 83210959
2-methoxy-4-[1-(3-methylbutan-2-ylamino)ethyl]phenol
CID 43131291
2-methoxy-4-[1-(2-methylpentan-3-ylamino)ethyl]phenol
CID 54954546
4-[1-(3,5-dimethylanilino)ethyl]-2-methoxyphenol
CID 43195420
4-[1-(2-ethoxyethylamino)ethyl]-2-methoxyphenol
CID 43590855
2-[1-(2-methoxyethoxyamino)ethyl]benzene-1,3-diol
CID 107711189
4-[1-(4-fluoroanilino)ethyl]-2-methoxyphenol
CID 43194672

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[1-(2-methoxyethoxyamino)ethyl]phenol?
The IUPAC name of 2-methoxy-4-[1-(2-methoxyethoxyamino)ethyl]phenol (CID 82714303) is 2-methoxy-4-[1-(2-methoxyethoxyamino)ethyl]phenol.
What is the SMILES notation for 2-methoxy-4-[1-(2-methoxyethoxyamino)ethyl]phenol?
The canonical SMILES for 2-methoxy-4-[1-(2-methoxyethoxyamino)ethyl]phenol is COCCONC(C)c1ccc(O)c(OC)c1.
What is the InChIKey of 2-methoxy-4-[1-(2-methoxyethoxyamino)ethyl]phenol?
The InChIKey is WDTZNABGSIXFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-9(13-17-7-6-15-2)10-4-5-11(14)12(8-10)16-3/h4-5,8-9,13-14H,6-7H2,1-3H3.
What are the key properties of 2-methoxy-4-[1-(2-methoxyethoxyamino)ethyl]phenol?
2-methoxy-4-[1-(2-methoxyethoxyamino)ethyl]phenol has a molecular weight of 241.29 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[1-(2-methoxyethoxyamino)ethyl]phenol is sourced from PubChem (CID 82714303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).