2-[[4-(4-methoxyphenyl)anilino]methyl]phenol

C20H19NO2 — CID 122182734

IUPAC2-[[4-(4-methoxyphenyl)anilino]methyl]phenol
SMILESCOc1ccc(-c2ccc(NCc3ccccc3O)cc2)cc1
InChIInChI=1S/C20H19NO2/c1-23-19-12-8-16(9-13-19)15-6-10-18(11-7-15)21-14-17-4-2-3-5-20(17)22/h2-13,21-22H,14H2,1H3
InChIKeyXGRCIWJPTBMRMQ-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.68
Rot. Bonds5

About 2-[[4-(4-methoxyphenyl)anilino]methyl]phenol

2-[[4-(4-methoxyphenyl)anilino]methyl]phenol (PubChem CID 122182734) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-[[4-(4-methoxyphenyl)anilino]methyl]phenol.

Molecular Properties

Compound Name2-[[4-(4-methoxyphenyl)anilino]methyl]phenol
PubChem CID122182734
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name2-[[4-(4-methoxyphenyl)anilino]methyl]phenol
SMILESCOc1ccc(-c2ccc(NCc3ccccc3O)cc2)cc1
InChIInChI=1S/C20H19NO2/c1-23-19-12-8-16(9-13-19)15-6-10-18(11-7-15)21-14-17-4-2-3-5-20(17)22/h2-13,21-22H,14H2,1H3
InChIKeyXGRCIWJPTBMRMQ-UHFFFAOYSA-N
XLogP4.68
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.68
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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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-methoxyphenyl)anilino]methyl]phenol?
The IUPAC name of 2-[[4-(4-methoxyphenyl)anilino]methyl]phenol (CID 122182734) is 2-[[4-(4-methoxyphenyl)anilino]methyl]phenol.
What is the SMILES notation for 2-[[4-(4-methoxyphenyl)anilino]methyl]phenol?
The canonical SMILES for 2-[[4-(4-methoxyphenyl)anilino]methyl]phenol is COc1ccc(-c2ccc(NCc3ccccc3O)cc2)cc1.
What is the InChIKey of 2-[[4-(4-methoxyphenyl)anilino]methyl]phenol?
The InChIKey is XGRCIWJPTBMRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c1-23-19-12-8-16(9-13-19)15-6-10-18(11-7-15)21-14-17-4-2-3-5-20(17)22/h2-13,21-22H,14H2,1H3.
What are the key properties of 2-[[4-(4-methoxyphenyl)anilino]methyl]phenol?
2-[[4-(4-methoxyphenyl)anilino]methyl]phenol has a molecular weight of 305.38 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-methoxyphenyl)anilino]methyl]phenol is sourced from PubChem (CID 122182734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).