4-[2-[methoxymethyl(methyl)amino]ethyl]phenol

C11H17NO2 — CID 91622025

IUPAC4-[2-[methoxymethyl(methyl)amino]ethyl]phenol
SMILESCOCN(C)CCc1ccc(O)cc1
InChIInChI=1S/C11H17NO2/c1-12(9-14-2)8-7-10-3-5-11(13)6-4-10/h3-6,13H,7-9H2,1-2H3
InChIKeyPQFHBTHNQXORBG-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.47
Rot. Bonds5

About 4-[2-[methoxymethyl(methyl)amino]ethyl]phenol

4-[2-[methoxymethyl(methyl)amino]ethyl]phenol (PubChem CID 91622025) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 4-[2-[methoxymethyl(methyl)amino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[methoxymethyl(methyl)amino]ethyl]phenol
PubChem CID91622025
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name4-[2-[methoxymethyl(methyl)amino]ethyl]phenol
SMILESCOCN(C)CCc1ccc(O)cc1
InChIInChI=1S/C11H17NO2/c1-12(9-14-2)8-7-10-3-5-11(13)6-4-10/h3-6,13H,7-9H2,1-2H3
InChIKeyPQFHBTHNQXORBG-UHFFFAOYSA-N
XLogP1.47
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)-N-(methoxymethyl)-N-methylethanamine
CID 115258974
2-(4-butan-2-ylphenyl)-N-(methoxymethyl)-N-methylethanamine
CID 115258991
N-(methoxymethyl)-2-(4-methoxy-3-methylphenyl)-N-methylethanamine
CID 115258978
4-[4-(2-methoxyethyl)phenyl]phenol
CID 174937616
2-(4-ethoxy-3-methylphenyl)-N-(methoxymethyl)-N-methylethanamine
CID 115259024
4-[2-[bis(trideuteriomethyl)amino]ethyl]phenol;hydrochloride
CID 131708485
2-(3-chloro-4-ethoxyphenyl)-N-(methoxymethyl)-N-methylethanamine
CID 115259026
2-(3,4-dihydro-2H-chromen-6-yl)-N-(methoxymethyl)-N-methylethanamine
CID 115259053
4-[3-[1-methoxypropan-2-yl(methyl)amino]butyl]phenol
CID 82981678
4-[2-[chloro(iodo)amino]ethyl]phenol
CID 87581078
N-(methoxymethyl)-N-methyl-2-(1-methylbenzimidazol-5-yl)ethanamine
CID 115259070
2-(2,5-dimethylphenyl)-N-(methoxymethyl)-N-methylethanamine
CID 115258971

Frequently Asked Questions

What is the IUPAC name of 4-[2-[methoxymethyl(methyl)amino]ethyl]phenol?
The IUPAC name of 4-[2-[methoxymethyl(methyl)amino]ethyl]phenol (CID 91622025) is 4-[2-[methoxymethyl(methyl)amino]ethyl]phenol.
What is the SMILES notation for 4-[2-[methoxymethyl(methyl)amino]ethyl]phenol?
The canonical SMILES for 4-[2-[methoxymethyl(methyl)amino]ethyl]phenol is COCN(C)CCc1ccc(O)cc1.
What is the InChIKey of 4-[2-[methoxymethyl(methyl)amino]ethyl]phenol?
The InChIKey is PQFHBTHNQXORBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-12(9-14-2)8-7-10-3-5-11(13)6-4-10/h3-6,13H,7-9H2,1-2H3.
What are the key properties of 4-[2-[methoxymethyl(methyl)amino]ethyl]phenol?
4-[2-[methoxymethyl(methyl)amino]ethyl]phenol has a molecular weight of 195.26 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[methoxymethyl(methyl)amino]ethyl]phenol is sourced from PubChem (CID 91622025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).