4-methoxy-2-[(3-methoxy-2,4-dimethylanilino)methyl]phenol

C17H21NO3 — CID 43738907

IUPAC4-methoxy-2-[(3-methoxy-2,4-dimethylanilino)methyl]phenol
SMILESCOc1ccc(O)c(CNc2ccc(C)c(OC)c2C)c1
InChIInChI=1S/C17H21NO3/c1-11-5-7-15(12(2)17(11)21-4)18-10-13-9-14(20-3)6-8-16(13)19/h5-9,18-19H,10H2,1-4H3
InChIKeyGSRWCRHBFHUUSM-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.64
Rot. Bonds5

About 4-methoxy-2-[(3-methoxy-2,4-dimethylanilino)methyl]phenol

4-methoxy-2-[(3-methoxy-2,4-dimethylanilino)methyl]phenol (PubChem CID 43738907) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-methoxy-2-[(3-methoxy-2,4-dimethylanilino)methyl]phenol.

Molecular Properties

Compound Name4-methoxy-2-[(3-methoxy-2,4-dimethylanilino)methyl]phenol
PubChem CID43738907
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name4-methoxy-2-[(3-methoxy-2,4-dimethylanilino)methyl]phenol
SMILESCOc1ccc(O)c(CNc2ccc(C)c(OC)c2C)c1
InChIInChI=1S/C17H21NO3/c1-11-5-7-15(12(2)17(11)21-4)18-10-13-9-14(20-3)6-8-16(13)19/h5-9,18-19H,10H2,1-4H3
InChIKeyGSRWCRHBFHUUSM-UHFFFAOYSA-N
XLogP3.64
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-chloro-2-methylanilino)methyl]-4-methoxyphenol
CID 28622648
2-[(4-ethoxy-2-methylanilino)methyl]-4-methoxyphenol
CID 60935381
4-chloro-2-[(4-methoxy-2-methylanilino)methyl]phenol
CID 62867698
4-[(4-methoxy-2-methylanilino)methyl]benzene-1,2,3-triol
CID 103953018
2-[(2-bromo-5-methylanilino)methyl]-4-methoxyphenol
CID 82761742
2-[(2,6-difluoro-3-methylanilino)methyl]-4-methoxyphenol
CID 82815902
2-[(2-ethylanilino)methyl]-4-methoxyphenol
CID 28617814
3-[(3-methoxy-2,4-dimethylanilino)methyl]phenol
CID 43739022
2-[(2,5-dimethylanilino)methyl]-5-methoxyphenol
CID 61267847
2-[(5-bromo-2-fluoroanilino)methyl]-4-methoxyphenol
CID 43555227
2-[(2-ethyl-6-methylanilino)methyl]-4-methoxyphenol
CID 60925001
2-[(2-hydroxy-5-methoxyphenyl)methylamino]benzonitrile
CID 28615921

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(3-methoxy-2,4-dimethylanilino)methyl]phenol?
The IUPAC name of 4-methoxy-2-[(3-methoxy-2,4-dimethylanilino)methyl]phenol (CID 43738907) is 4-methoxy-2-[(3-methoxy-2,4-dimethylanilino)methyl]phenol.
What is the SMILES notation for 4-methoxy-2-[(3-methoxy-2,4-dimethylanilino)methyl]phenol?
The canonical SMILES for 4-methoxy-2-[(3-methoxy-2,4-dimethylanilino)methyl]phenol is COc1ccc(O)c(CNc2ccc(C)c(OC)c2C)c1.
What is the InChIKey of 4-methoxy-2-[(3-methoxy-2,4-dimethylanilino)methyl]phenol?
The InChIKey is GSRWCRHBFHUUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-11-5-7-15(12(2)17(11)21-4)18-10-13-9-14(20-3)6-8-16(13)19/h5-9,18-19H,10H2,1-4H3.
What are the key properties of 4-methoxy-2-[(3-methoxy-2,4-dimethylanilino)methyl]phenol?
4-methoxy-2-[(3-methoxy-2,4-dimethylanilino)methyl]phenol has a molecular weight of 287.36 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(3-methoxy-2,4-dimethylanilino)methyl]phenol is sourced from PubChem (CID 43738907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).