4-[(3,4-dimethylphenyl)methylamino]-2,5-dimethylphenol

C17H21NO — CID 106953736

IUPAC4-[(3,4-dimethylphenyl)methylamino]-2,5-dimethylphenol
SMILESCc1ccc(CNc2cc(C)c(O)cc2C)cc1C
InChIInChI=1S/C17H21NO/c1-11-5-6-15(7-12(11)2)10-18-16-8-14(4)17(19)9-13(16)3/h5-9,18-19H,10H2,1-4H3
InChIKeyQUJPQAVRCGUCSV-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.24
Rot. Bonds3

About 4-[(3,4-dimethylphenyl)methylamino]-2,5-dimethylphenol

4-[(3,4-dimethylphenyl)methylamino]-2,5-dimethylphenol (PubChem CID 106953736) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-[(3,4-dimethylphenyl)methylamino]-2,5-dimethylphenol.

Molecular Properties

Compound Name4-[(3,4-dimethylphenyl)methylamino]-2,5-dimethylphenol
PubChem CID106953736
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name4-[(3,4-dimethylphenyl)methylamino]-2,5-dimethylphenol
SMILESCc1ccc(CNc2cc(C)c(O)cc2C)cc1C
InChIInChI=1S/C17H21NO/c1-11-5-6-15(7-12(11)2)10-18-16-8-14(4)17(19)9-13(16)3/h5-9,18-19H,10H2,1-4H3
InChIKeyQUJPQAVRCGUCSV-UHFFFAOYSA-N
XLogP4.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 4-[(3,4-dimethylphenyl)methylamino]-2,5-dimethylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1,3-benzodioxol-5-ylmethylamino)-2,5-dimethylphenol
CID 106953607
4-[(4-hydroxy-2,5-dimethylanilino)methyl]benzamide
CID 106953737
3-[(3,4-dimethylphenyl)methylamino]-2,6-dimethylphenol
CID 43790197
4-(furan-3-ylmethylamino)-2,5-dimethylphenol
CID 106954030
2,5-dimethyl-4-[[3-(trifluoromethyl)phenyl]methylamino]phenol
CID 106954168
4-[(3,5-dimethoxyphenyl)methylamino]-2,5-dimethylphenol
CID 106954005
4-[(3-fluoro-5-hydroxyphenyl)methylamino]-2,5-dimethylphenol
CID 106953697
N-[3-[(3,4-dimethylphenyl)methylamino]-4-methylphenyl]acetamide
CID 43789839
4-[(2-methoxyphenyl)methylamino]-2,5-dimethylphenol
CID 106954073
4-[(3,5-dibromo-4-methoxyphenyl)methylamino]-2,5-dimethylphenol
CID 106953832
2,5-dimethyl-4-(pentylamino)phenol
CID 106953723
4-[(5-bromofuran-2-yl)methylamino]-2,5-dimethylphenol
CID 106953616

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethylphenyl)methylamino]-2,5-dimethylphenol?
The IUPAC name of 4-[(3,4-dimethylphenyl)methylamino]-2,5-dimethylphenol (CID 106953736) is 4-[(3,4-dimethylphenyl)methylamino]-2,5-dimethylphenol.
What is the SMILES notation for 4-[(3,4-dimethylphenyl)methylamino]-2,5-dimethylphenol?
The canonical SMILES for 4-[(3,4-dimethylphenyl)methylamino]-2,5-dimethylphenol is Cc1ccc(CNc2cc(C)c(O)cc2C)cc1C.
What is the InChIKey of 4-[(3,4-dimethylphenyl)methylamino]-2,5-dimethylphenol?
The InChIKey is QUJPQAVRCGUCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-11-5-6-15(7-12(11)2)10-18-16-8-14(4)17(19)9-13(16)3/h5-9,18-19H,10H2,1-4H3.
What are the key properties of 4-[(3,4-dimethylphenyl)methylamino]-2,5-dimethylphenol?
4-[(3,4-dimethylphenyl)methylamino]-2,5-dimethylphenol has a molecular weight of 255.36 g/mol, XLogP of 4.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethylphenyl)methylamino]-2,5-dimethylphenol is sourced from PubChem (CID 106953736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).