2-[(2,5-dimethylanilino)methyl]-5-methoxyphenol

C16H19NO2 — CID 61267847

IUPAC2-[(2,5-dimethylanilino)methyl]-5-methoxyphenol
SMILESCOc1ccc(CNc2cc(C)ccc2C)c(O)c1
InChIInChI=1S/C16H19NO2/c1-11-4-5-12(2)15(8-11)17-10-13-6-7-14(19-3)9-16(13)18/h4-9,17-18H,10H2,1-3H3
InChIKeyMABHBWKTZZKURE-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.63
Rot. Bonds4

About 2-[(2,5-dimethylanilino)methyl]-5-methoxyphenol

2-[(2,5-dimethylanilino)methyl]-5-methoxyphenol (PubChem CID 61267847) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-[(2,5-dimethylanilino)methyl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[(2,5-dimethylanilino)methyl]-5-methoxyphenol
PubChem CID61267847
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name2-[(2,5-dimethylanilino)methyl]-5-methoxyphenol
SMILESCOc1ccc(CNc2cc(C)ccc2C)c(O)c1
InChIInChI=1S/C16H19NO2/c1-11-4-5-12(2)15(8-11)17-10-13-6-7-14(19-3)9-16(13)18/h4-9,17-18H,10H2,1-3H3
InChIKeyMABHBWKTZZKURE-UHFFFAOYSA-N
XLogP3.63
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.63
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-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylaniline
CID 775191
5-methoxy-2-[(2-methyl-5-nitroanilino)methyl]phenol
CID 61261387
2-[(2,4-dimethoxyanilino)methyl]-5-methoxyphenol
CID 61268572
2-[(3-bromo-4-methylanilino)methyl]-5-methoxyphenol
CID 63333359
2-[(2-bromo-5-methylanilino)methyl]-4-methoxyphenol
CID 82761742
2-[(2,4-dibromoanilino)methyl]-5-methoxyphenol
CID 61263805
4-[(4-methoxy-2-methylanilino)methyl]benzene-1,2,3-triol
CID 103953018
5-methoxy-2-[[(5-methyl-3-pyridinyl)amino]methyl]phenol
CID 103824039
N-[3-(4-methoxyphenoxy)propyl]-2,5-dimethylaniline
CID 82095922
2-[(4-fluoroanilino)methyl]-5-methoxyphenol
CID 61270048
5-methoxy-2-[[(2-methylphenyl)methylamino]methyl]phenol
CID 61262143
2-(ethylaminomethyl)-5-methoxyphenol
CID 39257600

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylanilino)methyl]-5-methoxyphenol?
The IUPAC name of 2-[(2,5-dimethylanilino)methyl]-5-methoxyphenol (CID 61267847) is 2-[(2,5-dimethylanilino)methyl]-5-methoxyphenol.
What is the SMILES notation for 2-[(2,5-dimethylanilino)methyl]-5-methoxyphenol?
The canonical SMILES for 2-[(2,5-dimethylanilino)methyl]-5-methoxyphenol is COc1ccc(CNc2cc(C)ccc2C)c(O)c1.
What is the InChIKey of 2-[(2,5-dimethylanilino)methyl]-5-methoxyphenol?
The InChIKey is MABHBWKTZZKURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-11-4-5-12(2)15(8-11)17-10-13-6-7-14(19-3)9-16(13)18/h4-9,17-18H,10H2,1-3H3.
What are the key properties of 2-[(2,5-dimethylanilino)methyl]-5-methoxyphenol?
2-[(2,5-dimethylanilino)methyl]-5-methoxyphenol has a molecular weight of 257.33 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylanilino)methyl]-5-methoxyphenol is sourced from PubChem (CID 61267847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).