5-methoxy-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]phenol

C15H25NO4 — CID 82978309

IUPAC5-methoxy-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]phenol
SMILESCOCCCN(CCOC)Cc1ccc(OC)cc1O
InChIInChI=1S/C15H25NO4/c1-18-9-4-7-16(8-10-19-2)12-13-5-6-14(20-3)11-15(13)17/h5-6,11,17H,4,7-10,12H2,1-3H3
InChIKeyIFBUJUWHTWFDRN-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.89
Rot. Bonds10

About 5-methoxy-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]phenol

5-methoxy-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]phenol (PubChem CID 82978309) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 5-methoxy-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]phenol
PubChem CID82978309
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name5-methoxy-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]phenol
SMILESCOCCCN(CCOC)Cc1ccc(OC)cc1O
InChIInChI=1S/C15H25NO4/c1-18-9-4-7-16(8-10-19-2)12-13-5-6-14(20-3)11-15(13)17/h5-6,11,17H,4,7-10,12H2,1-3H3
InChIKeyIFBUJUWHTWFDRN-UHFFFAOYSA-N
XLogP1.89
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(dimethylamino)methyl]-5-methoxyphenol
CID 18933640
2-[(2,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]ethanol
CID 115613643
N-[(2-bromo-5-methoxyphenyl)methyl]-N-(2-chloroethyl)-2-methoxyethanamine
CID 113468132
2-[[2-hydroxyethyl(methyl)amino]methyl]-5-methoxyphenol
CID 14295123
[4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]phenyl]methanol
CID 112631210
5-methoxy-2-[1-[3-methoxypropyl(methyl)amino]ethyl]phenol
CID 82980149
5-methoxy-2-[(4-methoxy-N-methylanilino)methyl]phenol
CID 82978581
2-[3-(dimethylamino)propyl]-5-methoxyphenol
CID 170865157
2-(aminomethyl)-5-methoxyphenol;ethane
CID 154662698
4-bromo-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-6-methylphenol
CID 115903850
2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]aniline
CID 54985082
methyl 3-[(2-bromo-5-methoxyphenyl)methyl-(2-methoxyethyl)amino]propanoate
CID 115536450

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]phenol?
The IUPAC name of 5-methoxy-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]phenol (CID 82978309) is 5-methoxy-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]phenol.
What is the SMILES notation for 5-methoxy-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]phenol?
The canonical SMILES for 5-methoxy-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]phenol is COCCCN(CCOC)Cc1ccc(OC)cc1O.
What is the InChIKey of 5-methoxy-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]phenol?
The InChIKey is IFBUJUWHTWFDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-18-9-4-7-16(8-10-19-2)12-13-5-6-14(20-3)11-15(13)17/h5-6,11,17H,4,7-10,12H2,1-3H3.
What are the key properties of 5-methoxy-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]phenol?
5-methoxy-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]phenol has a molecular weight of 283.37 g/mol, XLogP of 1.89, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]phenol is sourced from PubChem (CID 82978309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).