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

C12H19NO3 — CID 43190162

IUPAC2-methoxy-4-[1-(2-methoxyethylamino)ethyl]phenol
SMILESCOCCNC(C)c1ccc(O)c(OC)c1
InChIInChI=1S/C12H19NO3/c1-9(13-6-7-15-2)10-4-5-11(14)12(8-10)16-3/h4-5,8-9,13-14H,6-7H2,1-3H3
InChIKeySPGUQWFNALRZEK-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.70
Rot. Bonds6

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

2-methoxy-4-[1-(2-methoxyethylamino)ethyl]phenol (PubChem CID 43190162) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-methoxy-4-[1-(2-methoxyethylamino)ethyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[1-(2-methoxyethylamino)ethyl]phenol
PubChem CID43190162
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2-methoxy-4-[1-(2-methoxyethylamino)ethyl]phenol
SMILESCOCCNC(C)c1ccc(O)c(OC)c1
InChIInChI=1S/C12H19NO3/c1-9(13-6-7-15-2)10-4-5-11(14)12(8-10)16-3/h4-5,8-9,13-14H,6-7H2,1-3H3
InChIKeySPGUQWFNALRZEK-UHFFFAOYSA-N
XLogP1.70
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 43590855
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2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]ethyl carbamate
CID 83210959
4-[1-(3-ethenoxypropylamino)ethyl]-2-methoxyphenol
CID 43207308
4-[1-(3-ethoxypropylamino)ethyl]-2-methoxyphenol
CID 43196184
2-methoxy-4-[1-(2-methoxyethoxyamino)ethyl]phenol
CID 82714303
2-methoxy-4-[1-(2-phenylethylamino)ethyl]phenol
CID 43194110
2-methoxy-4-[1-(5,5,5-trifluoropentylamino)ethyl]phenol
CID 115516886
4-[1-(2-cyclohexylethylamino)ethyl]-2-methoxyphenol
CID 60919457
2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]acetamide
CID 16772013
4-[1-[2-(5-chlorothiophen-2-yl)ethylamino]ethyl]-2-methoxyphenol
CID 106041991
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CID 61284476

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[1-(2-methoxyethylamino)ethyl]phenol?
The IUPAC name of 2-methoxy-4-[1-(2-methoxyethylamino)ethyl]phenol (CID 43190162) is 2-methoxy-4-[1-(2-methoxyethylamino)ethyl]phenol.
What is the SMILES notation for 2-methoxy-4-[1-(2-methoxyethylamino)ethyl]phenol?
The canonical SMILES for 2-methoxy-4-[1-(2-methoxyethylamino)ethyl]phenol is COCCNC(C)c1ccc(O)c(OC)c1.
What is the InChIKey of 2-methoxy-4-[1-(2-methoxyethylamino)ethyl]phenol?
The InChIKey is SPGUQWFNALRZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-9(13-6-7-15-2)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-methoxyethylamino)ethyl]phenol?
2-methoxy-4-[1-(2-methoxyethylamino)ethyl]phenol has a molecular weight of 225.29 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[1-(2-methoxyethylamino)ethyl]phenol is sourced from PubChem (CID 43190162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).