2-[(2-ethylanilino)methyl]-4-methoxyphenol

C16H19NO2 — CID 28617814

IUPAC2-[(2-ethylanilino)methyl]-4-methoxyphenol
SMILESCCc1ccccc1NCc1cc(OC)ccc1O
InChIInChI=1S/C16H19NO2/c1-3-12-6-4-5-7-15(12)17-11-13-10-14(19-2)8-9-16(13)18/h4-10,17-18H,3,11H2,1-2H3
InChIKeyOQAHVCXVWJGLGC-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.58
Rot. Bonds5

About 2-[(2-ethylanilino)methyl]-4-methoxyphenol

2-[(2-ethylanilino)methyl]-4-methoxyphenol (PubChem CID 28617814) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-[(2-ethylanilino)methyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[(2-ethylanilino)methyl]-4-methoxyphenol
PubChem CID28617814
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name2-[(2-ethylanilino)methyl]-4-methoxyphenol
SMILESCCc1ccccc1NCc1cc(OC)ccc1O
InChIInChI=1S/C16H19NO2/c1-3-12-6-4-5-7-15(12)17-11-13-10-14(19-2)8-9-16(13)18/h4-10,17-18H,3,11H2,1-2H3
InChIKeyOQAHVCXVWJGLGC-UHFFFAOYSA-N
XLogP3.58
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-ethyl-6-methylanilino)methyl]-4-methoxyphenol
CID 60925001
2-[(2-hydroxy-5-methoxyphenyl)methylamino]benzonitrile
CID 28615921
4-methoxy-2-[(2-prop-2-enylsulfanylanilino)methyl]phenol
CID 60927118
2-[(4-methoxy-2-nitroanilino)methyl]phenol
CID 43717858
2-[(4-ethoxy-2-methylanilino)methyl]-4-methoxyphenol
CID 60935381
2-[(2-hydroxyphenyl)methylamino]-4-methoxybenzonitrile
CID 114332634
2-[(2,6-difluoroanilino)methyl]-4-methoxyphenol
CID 28974217
4-methoxy-2-[(3-methoxy-2,4-dimethylanilino)methyl]phenol
CID 43738907
2-[(4-chloro-2-methylanilino)methyl]-4-methoxyphenol
CID 28622648
2-[(2-bromo-5-methylanilino)methyl]-4-methoxyphenol
CID 82761742
2-ethyl-N-[(2-ethylphenyl)methyl]aniline
CID 55197677
[2-[(2,4-dimethoxyphenyl)methylamino]phenyl]methanol
CID 43743131

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylanilino)methyl]-4-methoxyphenol?
The IUPAC name of 2-[(2-ethylanilino)methyl]-4-methoxyphenol (CID 28617814) is 2-[(2-ethylanilino)methyl]-4-methoxyphenol.
What is the SMILES notation for 2-[(2-ethylanilino)methyl]-4-methoxyphenol?
The canonical SMILES for 2-[(2-ethylanilino)methyl]-4-methoxyphenol is CCc1ccccc1NCc1cc(OC)ccc1O.
What is the InChIKey of 2-[(2-ethylanilino)methyl]-4-methoxyphenol?
The InChIKey is OQAHVCXVWJGLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-3-12-6-4-5-7-15(12)17-11-13-10-14(19-2)8-9-16(13)18/h4-10,17-18H,3,11H2,1-2H3.
What are the key properties of 2-[(2-ethylanilino)methyl]-4-methoxyphenol?
2-[(2-ethylanilino)methyl]-4-methoxyphenol has a molecular weight of 257.33 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylanilino)methyl]-4-methoxyphenol is sourced from PubChem (CID 28617814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).