2-[(3,4-dimethylanilino)methyl]-4-methylphenol

C16H19NO — CID 63323211

IUPAC2-[(3,4-dimethylanilino)methyl]-4-methylphenol
SMILESCc1ccc(O)c(CNc2ccc(C)c(C)c2)c1
InChIInChI=1S/C16H19NO/c1-11-4-7-16(18)14(8-11)10-17-15-6-5-12(2)13(3)9-15/h4-9,17-18H,10H2,1-3H3
InChIKeyQGUGRBJHLGOEBK-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.93
Rot. Bonds3

About 2-[(3,4-dimethylanilino)methyl]-4-methylphenol

2-[(3,4-dimethylanilino)methyl]-4-methylphenol (PubChem CID 63323211) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-[(3,4-dimethylanilino)methyl]-4-methylphenol.

Molecular Properties

Compound Name2-[(3,4-dimethylanilino)methyl]-4-methylphenol
PubChem CID63323211
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name2-[(3,4-dimethylanilino)methyl]-4-methylphenol
SMILESCc1ccc(O)c(CNc2ccc(C)c(C)c2)c1
InChIInChI=1S/C16H19NO/c1-11-4-7-16(18)14(8-11)10-17-15-6-5-12(2)13(3)9-15/h4-9,17-18H,10H2,1-3H3
InChIKeyQGUGRBJHLGOEBK-UHFFFAOYSA-N
XLogP3.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-[(3,4-dimethylanilino)methyl]phenol
CID 18533660
2-[(4-hydroxyanilino)methyl]-4-methylphenol
CID 55205511
4-methyl-2-[(3-methyl-4-nitroanilino)methyl]phenol
CID 63324660
2-[(3,5-difluoroanilino)methyl]-4-methylphenol
CID 63323682
2-[(3-fluoroanilino)methyl]-4-methylphenol
CID 63323256
2-[[(6-bromo-5-methyl-3-pyridinyl)amino]methyl]-4-methylphenol
CID 113379903
4-methyl-2-[(4-methylsulfonylanilino)methyl]phenol
CID 63323424
2-[[4-(diethylamino)anilino]methyl]-4-methylphenol
CID 63326694
2-[[(6-bromo-3-pyridinyl)amino]methyl]-4-methylphenol
CID 103934339
N-[3-[(2-hydroxy-5-methylphenyl)methylamino]-4-methylphenyl]acetamide
CID 63324854
2-[(4-butylanilino)methyl]-4-methylphenol
CID 63326661
methyl 4-[(2-hydroxy-5-methylphenyl)methylamino]benzoate
CID 63326548

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethylanilino)methyl]-4-methylphenol?
The IUPAC name of 2-[(3,4-dimethylanilino)methyl]-4-methylphenol (CID 63323211) is 2-[(3,4-dimethylanilino)methyl]-4-methylphenol.
What is the SMILES notation for 2-[(3,4-dimethylanilino)methyl]-4-methylphenol?
The canonical SMILES for 2-[(3,4-dimethylanilino)methyl]-4-methylphenol is Cc1ccc(O)c(CNc2ccc(C)c(C)c2)c1.
What is the InChIKey of 2-[(3,4-dimethylanilino)methyl]-4-methylphenol?
The InChIKey is QGUGRBJHLGOEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-11-4-7-16(18)14(8-11)10-17-15-6-5-12(2)13(3)9-15/h4-9,17-18H,10H2,1-3H3.
What are the key properties of 2-[(3,4-dimethylanilino)methyl]-4-methylphenol?
2-[(3,4-dimethylanilino)methyl]-4-methylphenol has a molecular weight of 241.33 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethylanilino)methyl]-4-methylphenol is sourced from PubChem (CID 63323211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).