2-[[4-(3-methylphenyl)anilino]methyl]phenol

C20H19NO — CID 122182742

IUPAC2-[[4-(3-methylphenyl)anilino]methyl]phenol
SMILESCc1cccc(-c2ccc(NCc3ccccc3O)cc2)c1
InChIInChI=1S/C20H19NO/c1-15-5-4-7-17(13-15)16-9-11-19(12-10-16)21-14-18-6-2-3-8-20(18)22/h2-13,21-22H,14H2,1H3
InChIKeyTUXLCDICYNHEJX-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.98
Rot. Bonds4

About 2-[[4-(3-methylphenyl)anilino]methyl]phenol

2-[[4-(3-methylphenyl)anilino]methyl]phenol (PubChem CID 122182742) has the molecular formula C20H19NO and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[[4-(3-methylphenyl)anilino]methyl]phenol.

Molecular Properties

Compound Name2-[[4-(3-methylphenyl)anilino]methyl]phenol
PubChem CID122182742
Molecular FormulaC20H19NO
Molecular Weight289.38 g/mol
Exact Mass289.15
IUPAC Name2-[[4-(3-methylphenyl)anilino]methyl]phenol
SMILESCc1cccc(-c2ccc(NCc3ccccc3O)cc2)c1
InChIInChI=1S/C20H19NO/c1-15-5-4-7-17(13-15)16-9-11-19(12-10-16)21-14-18-6-2-3-8-20(18)22/h2-13,21-22H,14H2,1H3
InChIKeyTUXLCDICYNHEJX-UHFFFAOYSA-N
XLogP4.98
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[[4-(3-methylphenyl)anilino]methyl]phenol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-methylphenyl)anilino]methyl]phenol?
The IUPAC name of 2-[[4-(3-methylphenyl)anilino]methyl]phenol (CID 122182742) is 2-[[4-(3-methylphenyl)anilino]methyl]phenol.
What is the SMILES notation for 2-[[4-(3-methylphenyl)anilino]methyl]phenol?
The canonical SMILES for 2-[[4-(3-methylphenyl)anilino]methyl]phenol is Cc1cccc(-c2ccc(NCc3ccccc3O)cc2)c1.
What is the InChIKey of 2-[[4-(3-methylphenyl)anilino]methyl]phenol?
The InChIKey is TUXLCDICYNHEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO/c1-15-5-4-7-17(13-15)16-9-11-19(12-10-16)21-14-18-6-2-3-8-20(18)22/h2-13,21-22H,14H2,1H3.
What are the key properties of 2-[[4-(3-methylphenyl)anilino]methyl]phenol?
2-[[4-(3-methylphenyl)anilino]methyl]phenol has a molecular weight of 289.38 g/mol, XLogP of 4.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-methylphenyl)anilino]methyl]phenol is sourced from PubChem (CID 122182742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).