5-methoxy-2-[(4-methoxy-N-methylanilino)methyl]phenol

C16H19NO3 — CID 82978581

IUPAC5-methoxy-2-[(4-methoxy-N-methylanilino)methyl]phenol
SMILESCOc1ccc(N(C)Cc2ccc(OC)cc2O)cc1
InChIInChI=1S/C16H19NO3/c1-17(13-5-8-14(19-2)9-6-13)11-12-4-7-15(20-3)10-16(12)18/h4-10,18H,11H2,1-3H3
InChIKeyZHWKGBWKZKJKHP-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.05
Rot. Bonds5

About 5-methoxy-2-[(4-methoxy-N-methylanilino)methyl]phenol

5-methoxy-2-[(4-methoxy-N-methylanilino)methyl]phenol (PubChem CID 82978581) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 5-methoxy-2-[(4-methoxy-N-methylanilino)methyl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[(4-methoxy-N-methylanilino)methyl]phenol
PubChem CID82978581
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name5-methoxy-2-[(4-methoxy-N-methylanilino)methyl]phenol
SMILESCOc1ccc(N(C)Cc2ccc(OC)cc2O)cc1
InChIInChI=1S/C16H19NO3/c1-17(13-5-8-14(19-2)9-6-13)11-12-4-7-15(20-3)10-16(12)18/h4-10,18H,11H2,1-3H3
InChIKeyZHWKGBWKZKJKHP-UHFFFAOYSA-N
XLogP3.05
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-2-[(4-methoxy-N-methylanilino)methyl]phenol
CID 82978580
5-methoxy-2-[(N,3,5-trimethylanilino)methyl]phenol
CID 82978542
2-[(dimethylamino)methyl]-5-methoxyphenol
CID 18933640
4-bromo-3-[(4-methoxy-N-methylanilino)methyl]phenol
CID 82978304
2-[[2-hydroxyethyl(methyl)amino]methyl]-5-methoxyphenol
CID 14295123
2-[3-(dimethylamino)propyl]-5-methoxyphenol
CID 170865157
5-methoxy-2-[(4-methoxyphenoxy)methyl]phenol
CID 117221300
2-methoxy-5-[(4-methoxy-N-methylanilino)methyl]phenol
CID 82978512
2-chloro-N-[(2-hydroxy-4-methoxyphenyl)methyl]-N-methylacetamide
CID 82110242
4-[(4-methoxy-N-methylanilino)methyl]-3-methylbenzoic acid
CID 114485460
4-[(2-fluoro-4-methoxyphenyl)methyl-methylamino]benzonitrile
CID 102876735
4-[(4-methoxy-N-methylanilino)methyl]-3-methylbenzonitrile
CID 114481139

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(4-methoxy-N-methylanilino)methyl]phenol?
The IUPAC name of 5-methoxy-2-[(4-methoxy-N-methylanilino)methyl]phenol (CID 82978581) is 5-methoxy-2-[(4-methoxy-N-methylanilino)methyl]phenol.
What is the SMILES notation for 5-methoxy-2-[(4-methoxy-N-methylanilino)methyl]phenol?
The canonical SMILES for 5-methoxy-2-[(4-methoxy-N-methylanilino)methyl]phenol is COc1ccc(N(C)Cc2ccc(OC)cc2O)cc1.
What is the InChIKey of 5-methoxy-2-[(4-methoxy-N-methylanilino)methyl]phenol?
The InChIKey is ZHWKGBWKZKJKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-17(13-5-8-14(19-2)9-6-13)11-12-4-7-15(20-3)10-16(12)18/h4-10,18H,11H2,1-3H3.
What are the key properties of 5-methoxy-2-[(4-methoxy-N-methylanilino)methyl]phenol?
5-methoxy-2-[(4-methoxy-N-methylanilino)methyl]phenol has a molecular weight of 273.33 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[(4-methoxy-N-methylanilino)methyl]phenol is sourced from PubChem (CID 82978581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).