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

C16H19NO3 — CID 82978580

IUPAC4-methoxy-2-[(4-methoxy-N-methylanilino)methyl]phenol
SMILESCOc1ccc(N(C)Cc2cc(OC)ccc2O)cc1
InChIInChI=1S/C16H19NO3/c1-17(13-4-6-14(19-2)7-5-13)11-12-10-15(20-3)8-9-16(12)18/h4-10,18H,11H2,1-3H3
InChIKeyREQSGDXJXUWJTC-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.05
Rot. Bonds5

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

4-methoxy-2-[(4-methoxy-N-methylanilino)methyl]phenol (PubChem CID 82978580) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 4-methoxy-2-[(4-methoxy-N-methylanilino)methyl]phenol.

Molecular Properties

Compound Name4-methoxy-2-[(4-methoxy-N-methylanilino)methyl]phenol
PubChem CID82978580
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name4-methoxy-2-[(4-methoxy-N-methylanilino)methyl]phenol
SMILESCOc1ccc(N(C)Cc2cc(OC)ccc2O)cc1
InChIInChI=1S/C16H19NO3/c1-17(13-4-6-14(19-2)7-5-13)11-12-10-15(20-3)8-9-16(12)18/h4-10,18H,11H2,1-3H3
InChIKeyREQSGDXJXUWJTC-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

5-methoxy-2-[(4-methoxy-N-methylanilino)methyl]phenol
CID 82978581
2-[(dimethylamino)methyl]-4-methoxyphenol
CID 12561113
4-bromo-3-[(4-methoxy-N-methylanilino)methyl]phenol
CID 82978304
4-methoxy-2-[[methyl(pentan-3-yl)amino]methyl]phenol
CID 82977656
4-methoxy-2-[[methyl(propyl)amino]methyl]phenol
CID 82977818
5-methoxy-2-[(N,3,5-trimethylanilino)methyl]phenol
CID 82978542
2-methoxy-5-[(4-methoxy-N-methylanilino)methyl]phenol
CID 82978512
4-methoxy-2-[(4-methoxyphenyl)methyl]phenol
CID 67461298
4-[(4-methoxy-N-methylanilino)methyl]-3-methylbenzoic acid
CID 114485460
2-[[2-ethoxyethyl(methyl)amino]methyl]-4-methoxyphenol
CID 82983680
2-[[2-(dimethylamino)ethyl-propylamino]methyl]-4-methoxyphenol
CID 82979025
2-[(dimethylamino)methyl]-5-methoxyphenol
CID 18933640

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(4-methoxy-N-methylanilino)methyl]phenol?
The IUPAC name of 4-methoxy-2-[(4-methoxy-N-methylanilino)methyl]phenol (CID 82978580) is 4-methoxy-2-[(4-methoxy-N-methylanilino)methyl]phenol.
What is the SMILES notation for 4-methoxy-2-[(4-methoxy-N-methylanilino)methyl]phenol?
The canonical SMILES for 4-methoxy-2-[(4-methoxy-N-methylanilino)methyl]phenol is COc1ccc(N(C)Cc2cc(OC)ccc2O)cc1.
What is the InChIKey of 4-methoxy-2-[(4-methoxy-N-methylanilino)methyl]phenol?
The InChIKey is REQSGDXJXUWJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-17(13-4-6-14(19-2)7-5-13)11-12-10-15(20-3)8-9-16(12)18/h4-10,18H,11H2,1-3H3.
What are the key properties of 4-methoxy-2-[(4-methoxy-N-methylanilino)methyl]phenol?
4-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 4-methoxy-2-[(4-methoxy-N-methylanilino)methyl]phenol is sourced from PubChem (CID 82978580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).