2-ethoxy-6-[[3-methoxypropyl(methyl)amino]methyl]phenol

C14H23NO3 — CID 82980151

IUPAC2-ethoxy-6-[[3-methoxypropyl(methyl)amino]methyl]phenol
SMILESCCOc1cccc(CN(C)CCCOC)c1O
InChIInChI=1S/C14H23NO3/c1-4-18-13-8-5-7-12(14(13)16)11-15(2)9-6-10-17-3/h5,7-8,16H,4,6,9-11H2,1-3H3
InChIKeyTVDMGUNQNGRLNB-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.26
Rot. Bonds8

About 2-ethoxy-6-[[3-methoxypropyl(methyl)amino]methyl]phenol

2-ethoxy-6-[[3-methoxypropyl(methyl)amino]methyl]phenol (PubChem CID 82980151) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-ethoxy-6-[[3-methoxypropyl(methyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-6-[[3-methoxypropyl(methyl)amino]methyl]phenol
PubChem CID82980151
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name2-ethoxy-6-[[3-methoxypropyl(methyl)amino]methyl]phenol
SMILESCCOc1cccc(CN(C)CCCOC)c1O
InChIInChI=1S/C14H23NO3/c1-4-18-13-8-5-7-12(14(13)16)11-15(2)9-6-10-17-3/h5,7-8,16H,4,6,9-11H2,1-3H3
InChIKeyTVDMGUNQNGRLNB-UHFFFAOYSA-N
XLogP2.26
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-6-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenol
CID 82982222
2-ethoxy-6-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol
CID 82980200
2-ethoxy-6-[[methyl(pentan-3-yl)amino]methyl]phenol
CID 82976872
2-ethoxy-6-[(2-methoxyethoxyamino)methyl]phenol
CID 82715781
3-[(2-ethoxyphenyl)methyl]-1-(3-methoxypropyl)-1-methylurea
CID 86850576
2-methoxy-6-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenol
CID 82983294
methyl 3-[(2-ethoxyphenyl)methyl-methylamino]propanoate
CID 60965925
3-[[3-methoxypropyl(methyl)amino]methyl]pyridine-2-carboxylic acid
CID 55179540
2-ethoxy-6-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]phenol
CID 82958395
1-[(2-ethoxyphenyl)methyl]-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-methylguanidine;hydroiodide
CID 111651229
2-[(2-hydroxy-3-methoxyphenyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 82979091
2-ethoxy-6-heptadecylphenol
CID 10499794

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-[[3-methoxypropyl(methyl)amino]methyl]phenol?
The IUPAC name of 2-ethoxy-6-[[3-methoxypropyl(methyl)amino]methyl]phenol (CID 82980151) is 2-ethoxy-6-[[3-methoxypropyl(methyl)amino]methyl]phenol.
What is the SMILES notation for 2-ethoxy-6-[[3-methoxypropyl(methyl)amino]methyl]phenol?
The canonical SMILES for 2-ethoxy-6-[[3-methoxypropyl(methyl)amino]methyl]phenol is CCOc1cccc(CN(C)CCCOC)c1O.
What is the InChIKey of 2-ethoxy-6-[[3-methoxypropyl(methyl)amino]methyl]phenol?
The InChIKey is TVDMGUNQNGRLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-4-18-13-8-5-7-12(14(13)16)11-15(2)9-6-10-17-3/h5,7-8,16H,4,6,9-11H2,1-3H3.
What are the key properties of 2-ethoxy-6-[[3-methoxypropyl(methyl)amino]methyl]phenol?
2-ethoxy-6-[[3-methoxypropyl(methyl)amino]methyl]phenol has a molecular weight of 253.34 g/mol, XLogP of 2.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-[[3-methoxypropyl(methyl)amino]methyl]phenol is sourced from PubChem (CID 82980151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).