3-[(4-ethoxy-3-methoxyphenyl)methylamino]phenol

C16H19NO3 — CID 28722983

IUPAC3-[(4-ethoxy-3-methoxyphenyl)methylamino]phenol
SMILESCCOc1ccc(CNc2cccc(O)c2)cc1OC
InChIInChI=1S/C16H19NO3/c1-3-20-15-8-7-12(9-16(15)19-2)11-17-13-5-4-6-14(18)10-13/h4-10,17-18H,3,11H2,1-2H3
InChIKeySCGUAGSKKFHZRQ-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.41
Rot. Bonds6

About 3-[(4-ethoxy-3-methoxyphenyl)methylamino]phenol

3-[(4-ethoxy-3-methoxyphenyl)methylamino]phenol (PubChem CID 28722983) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 3-[(4-ethoxy-3-methoxyphenyl)methylamino]phenol.

Molecular Properties

Compound Name3-[(4-ethoxy-3-methoxyphenyl)methylamino]phenol
PubChem CID28722983
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name3-[(4-ethoxy-3-methoxyphenyl)methylamino]phenol
SMILESCCOc1ccc(CNc2cccc(O)c2)cc1OC
InChIInChI=1S/C16H19NO3/c1-3-20-15-8-7-12(9-16(15)19-2)11-17-13-5-4-6-14(18)10-13/h4-10,17-18H,3,11H2,1-2H3
InChIKeySCGUAGSKKFHZRQ-UHFFFAOYSA-N
XLogP3.41
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-ethoxy-4-propoxyphenyl)methylamino]phenol
CID 82531193
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylaniline
CID 28609770
3-[(4-methoxy-3-methylphenyl)methylamino]phenol
CID 43771044
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3,4-difluoroaniline
CID 28615179
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)aniline
CID 78893817
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methoxyaniline
CID 28612218
3-[3-[(3-ethoxy-4-methoxyphenyl)methylamino]phenyl]propanoic acid
CID 122044401
2-bromo-4-[(3-hydroxyanilino)methyl]-6-methoxyphenol
CID 28722263
3-ethoxy-N-[(4-methoxy-3-methylphenyl)methyl]aniline
CID 60935106
5-[(4-ethoxy-3-methoxyphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 17058888
3-[(3-fluoro-4-methoxyanilino)methyl]phenol
CID 43380515
3-[(3-hydroxyanilino)methyl]phenol
CID 21321439

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxy-3-methoxyphenyl)methylamino]phenol?
The IUPAC name of 3-[(4-ethoxy-3-methoxyphenyl)methylamino]phenol (CID 28722983) is 3-[(4-ethoxy-3-methoxyphenyl)methylamino]phenol.
What is the SMILES notation for 3-[(4-ethoxy-3-methoxyphenyl)methylamino]phenol?
The canonical SMILES for 3-[(4-ethoxy-3-methoxyphenyl)methylamino]phenol is CCOc1ccc(CNc2cccc(O)c2)cc1OC.
What is the InChIKey of 3-[(4-ethoxy-3-methoxyphenyl)methylamino]phenol?
The InChIKey is SCGUAGSKKFHZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-3-20-15-8-7-12(9-16(15)19-2)11-17-13-5-4-6-14(18)10-13/h4-10,17-18H,3,11H2,1-2H3.
What are the key properties of 3-[(4-ethoxy-3-methoxyphenyl)methylamino]phenol?
3-[(4-ethoxy-3-methoxyphenyl)methylamino]phenol has a molecular weight of 273.33 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxy-3-methoxyphenyl)methylamino]phenol is sourced from PubChem (CID 28722983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).