2-[(2-ethyl-6-methylanilino)methyl]-4-methoxyphenol

C17H21NO2 — CID 60925001

IUPAC2-[(2-ethyl-6-methylanilino)methyl]-4-methoxyphenol
SMILESCCc1cccc(C)c1NCc1cc(OC)ccc1O
InChIInChI=1S/C17H21NO2/c1-4-13-7-5-6-12(2)17(13)18-11-14-10-15(20-3)8-9-16(14)19/h5-10,18-19H,4,11H2,1-3H3
InChIKeyPGEZQZUSAKQYNG-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.88
Rot. Bonds5

About 2-[(2-ethyl-6-methylanilino)methyl]-4-methoxyphenol

2-[(2-ethyl-6-methylanilino)methyl]-4-methoxyphenol (PubChem CID 60925001) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[(2-ethyl-6-methylanilino)methyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[(2-ethyl-6-methylanilino)methyl]-4-methoxyphenol
PubChem CID60925001
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name2-[(2-ethyl-6-methylanilino)methyl]-4-methoxyphenol
SMILESCCc1cccc(C)c1NCc1cc(OC)ccc1O
InChIInChI=1S/C17H21NO2/c1-4-13-7-5-6-12(2)17(13)18-11-14-10-15(20-3)8-9-16(14)19/h5-10,18-19H,4,11H2,1-3H3
InChIKeyPGEZQZUSAKQYNG-UHFFFAOYSA-N
XLogP3.88
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.88
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

N-[(2,5-dimethoxyphenyl)methyl]-2-ethyl-6-methylaniline
CID 60924688
2-[(2-ethylanilino)methyl]-4-methoxyphenol
CID 28617814
2-[(2,6-difluoroanilino)methyl]-4-methoxyphenol
CID 28974217
2-[(2,6-difluoro-3-methylanilino)methyl]-4-methoxyphenol
CID 82815902
2-(2,5-dimethoxyphenyl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 7992499
2-[[(2-chloro-4-methyl-3-pyridinyl)amino]methyl]-4-methoxyphenol
CID 65484698
2-[(2,6-dimethylanilino)methyl]phenol
CID 4863460
2-[(4-bromo-2-methoxy-6-methylanilino)methyl]-4-methoxyphenol
CID 60943377
2-[(4-ethoxy-2-methylanilino)methyl]-4-methoxyphenol
CID 60935381
4-methoxy-2-[(3-nitroanilino)methyl]phenol
CID 43717902
2-(2,4-dimethoxyanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 8965693
4-methoxy-2-[(4-methyl-3-nitroanilino)methyl]phenol
CID 43718257

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-6-methylanilino)methyl]-4-methoxyphenol?
The IUPAC name of 2-[(2-ethyl-6-methylanilino)methyl]-4-methoxyphenol (CID 60925001) is 2-[(2-ethyl-6-methylanilino)methyl]-4-methoxyphenol.
What is the SMILES notation for 2-[(2-ethyl-6-methylanilino)methyl]-4-methoxyphenol?
The canonical SMILES for 2-[(2-ethyl-6-methylanilino)methyl]-4-methoxyphenol is CCc1cccc(C)c1NCc1cc(OC)ccc1O.
What is the InChIKey of 2-[(2-ethyl-6-methylanilino)methyl]-4-methoxyphenol?
The InChIKey is PGEZQZUSAKQYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-4-13-7-5-6-12(2)17(13)18-11-14-10-15(20-3)8-9-16(14)19/h5-10,18-19H,4,11H2,1-3H3.
What are the key properties of 2-[(2-ethyl-6-methylanilino)methyl]-4-methoxyphenol?
2-[(2-ethyl-6-methylanilino)methyl]-4-methoxyphenol has a molecular weight of 271.36 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-6-methylanilino)methyl]-4-methoxyphenol is sourced from PubChem (CID 60925001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).