2-[(2-ethoxyanilino)methyl]-4-methylphenol

C16H19NO2 — CID 63323369

IUPAC2-[(2-ethoxyanilino)methyl]-4-methylphenol
SMILESCCOc1ccccc1NCc1cc(C)ccc1O
InChIInChI=1S/C16H19NO2/c1-3-19-16-7-5-4-6-14(16)17-11-13-10-12(2)8-9-15(13)18/h4-10,17-18H,3,11H2,1-2H3
InChIKeyCEDVRJLHQCOTJC-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.71
Rot. Bonds5

About 2-[(2-ethoxyanilino)methyl]-4-methylphenol

2-[(2-ethoxyanilino)methyl]-4-methylphenol (PubChem CID 63323369) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-[(2-ethoxyanilino)methyl]-4-methylphenol.

Molecular Properties

Compound Name2-[(2-ethoxyanilino)methyl]-4-methylphenol
PubChem CID63323369
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name2-[(2-ethoxyanilino)methyl]-4-methylphenol
SMILESCCOc1ccccc1NCc1cc(C)ccc1O
InChIInChI=1S/C16H19NO2/c1-3-19-16-7-5-4-6-14(16)17-11-13-10-12(2)8-9-15(13)18/h4-10,17-18H,3,11H2,1-2H3
InChIKeyCEDVRJLHQCOTJC-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
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-ethoxy-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 43408609
ethyl 2-[(2-hydroxy-5-methylphenyl)methylamino]benzoate
CID 63326977
2-ethoxy-N-[(2-ethoxyphenyl)methyl]-4-methylaniline
CID 60935397
2-[(2-tert-butylanilino)methyl]-4-methylphenol;2-[(2-methoxyanilino)methyl]-4-methylphenol
CID 167564894
N-[(2-ethoxyphenyl)methyl]-2,4-dimethylaniline
CID 29274401
2-[(5-chloro-2-ethoxyanilino)methyl]phenol
CID 54865428
2-[(2-ethoxyanilino)methyl]aniline
CID 66385823
2-[(2-chloro-4-methylanilino)methyl]-6-ethoxyphenol
CID 28967743
4-[(2-propoxyanilino)methyl]benzene-1,3-diol
CID 43682277
2-ethoxy-4-[(2-methoxy-4-methylanilino)methyl]phenol
CID 60931979
2-[(5-chloro-2,4-dimethoxyanilino)methyl]-4-methylphenol
CID 63323505
N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethoxyaniline
CID 43088137

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxyanilino)methyl]-4-methylphenol?
The IUPAC name of 2-[(2-ethoxyanilino)methyl]-4-methylphenol (CID 63323369) is 2-[(2-ethoxyanilino)methyl]-4-methylphenol.
What is the SMILES notation for 2-[(2-ethoxyanilino)methyl]-4-methylphenol?
The canonical SMILES for 2-[(2-ethoxyanilino)methyl]-4-methylphenol is CCOc1ccccc1NCc1cc(C)ccc1O.
What is the InChIKey of 2-[(2-ethoxyanilino)methyl]-4-methylphenol?
The InChIKey is CEDVRJLHQCOTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-3-19-16-7-5-4-6-14(16)17-11-13-10-12(2)8-9-15(13)18/h4-10,17-18H,3,11H2,1-2H3.
What are the key properties of 2-[(2-ethoxyanilino)methyl]-4-methylphenol?
2-[(2-ethoxyanilino)methyl]-4-methylphenol has a molecular weight of 257.33 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxyanilino)methyl]-4-methylphenol is sourced from PubChem (CID 63323369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).