2-methoxy-5-[(2,4,6-trimethylanilino)methyl]phenol

C17H21NO2 — CID 39370195

IUPAC2-methoxy-5-[(2,4,6-trimethylanilino)methyl]phenol
SMILESCOc1ccc(CNc2c(C)cc(C)cc2C)cc1O
InChIInChI=1S/C17H21NO2/c1-11-7-12(2)17(13(3)8-11)18-10-14-5-6-16(20-4)15(19)9-14/h5-9,18-19H,10H2,1-4H3
InChIKeyAJOGTSSYEZSUFO-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.94
Rot. Bonds4

About 2-methoxy-5-[(2,4,6-trimethylanilino)methyl]phenol

2-methoxy-5-[(2,4,6-trimethylanilino)methyl]phenol (PubChem CID 39370195) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-methoxy-5-[(2,4,6-trimethylanilino)methyl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[(2,4,6-trimethylanilino)methyl]phenol
PubChem CID39370195
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name2-methoxy-5-[(2,4,6-trimethylanilino)methyl]phenol
SMILESCOc1ccc(CNc2c(C)cc(C)cc2C)cc1O
InChIInChI=1S/C17H21NO2/c1-11-7-12(2)17(13(3)8-11)18-10-14-5-6-16(20-4)15(19)9-14/h5-9,18-19H,10H2,1-4H3
InChIKeyAJOGTSSYEZSUFO-UHFFFAOYSA-N
XLogP3.94
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-2-methoxyphenol
CID 43547406
2-methoxy-5-[(2,4,6-trifluoroanilino)methyl]phenol
CID 58752919
2,6-dibromo-N-[(4-methoxy-3-methylphenyl)methyl]-4-methylaniline
CID 43773583
2-methoxy-5-[[(5-methyl-2-pyridinyl)amino]methyl]phenol
CID 71695384
5-[(2,5-dichloro-4-methylanilino)methyl]-2-methoxyphenol
CID 104726290
2-methoxy-5-[[(6-methyl-3-pyridinyl)amino]methyl]phenol
CID 81498732
2-[(3-hydroxy-4-methoxyphenyl)methylamino]-3-methoxybenzonitrile
CID 107467113
4-[(3-hydroxy-4-methoxyphenyl)methylamino]-3-methylbenzoic acid
CID 43736031
4-[(4-methoxy-3-methylphenyl)methylamino]phenol
CID 43790415
4-[(3-hydroxy-4-methoxyanilino)methyl]-2-methoxyphenol
CID 43743646
2,6-dibromo-N-[(3,4-dimethoxyphenyl)methyl]-4-methylaniline
CID 28984269
3-[(3-hydroxy-4-methoxyphenyl)methylamino]-2-methylpropane-1,2-diol
CID 66168561

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[(2,4,6-trimethylanilino)methyl]phenol?
The IUPAC name of 2-methoxy-5-[(2,4,6-trimethylanilino)methyl]phenol (CID 39370195) is 2-methoxy-5-[(2,4,6-trimethylanilino)methyl]phenol.
What is the SMILES notation for 2-methoxy-5-[(2,4,6-trimethylanilino)methyl]phenol?
The canonical SMILES for 2-methoxy-5-[(2,4,6-trimethylanilino)methyl]phenol is COc1ccc(CNc2c(C)cc(C)cc2C)cc1O.
What is the InChIKey of 2-methoxy-5-[(2,4,6-trimethylanilino)methyl]phenol?
The InChIKey is AJOGTSSYEZSUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-11-7-12(2)17(13(3)8-11)18-10-14-5-6-16(20-4)15(19)9-14/h5-9,18-19H,10H2,1-4H3.
What are the key properties of 2-methoxy-5-[(2,4,6-trimethylanilino)methyl]phenol?
2-methoxy-5-[(2,4,6-trimethylanilino)methyl]phenol has a molecular weight of 271.36 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[(2,4,6-trimethylanilino)methyl]phenol is sourced from PubChem (CID 39370195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).