2-[(2-methyl-4-phenylanilino)methyl]phenol

C20H19NO — CID 122182759

IUPAC2-[(2-methyl-4-phenylanilino)methyl]phenol
SMILESCc1cc(-c2ccccc2)ccc1NCc1ccccc1O
InChIInChI=1S/C20H19NO/c1-15-13-17(16-7-3-2-4-8-16)11-12-19(15)21-14-18-9-5-6-10-20(18)22/h2-13,21-22H,14H2,1H3
InChIKeyNDRWOTBGZUGYNS-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.98
Rot. Bonds4

About 2-[(2-methyl-4-phenylanilino)methyl]phenol

2-[(2-methyl-4-phenylanilino)methyl]phenol (PubChem CID 122182759) has the molecular formula C20H19NO and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[(2-methyl-4-phenylanilino)methyl]phenol.

Molecular Properties

Compound Name2-[(2-methyl-4-phenylanilino)methyl]phenol
PubChem CID122182759
Molecular FormulaC20H19NO
Molecular Weight289.38 g/mol
Exact Mass289.15
IUPAC Name2-[(2-methyl-4-phenylanilino)methyl]phenol
SMILESCc1cc(-c2ccccc2)ccc1NCc1ccccc1O
InChIInChI=1S/C20H19NO/c1-15-13-17(16-7-3-2-4-8-16)11-12-19(15)21-14-18-9-5-6-10-20(18)22/h2-13,21-22H,14H2,1H3
InChIKeyNDRWOTBGZUGYNS-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-4-phenylanilino)methyl]phenol?
The IUPAC name of 2-[(2-methyl-4-phenylanilino)methyl]phenol (CID 122182759) is 2-[(2-methyl-4-phenylanilino)methyl]phenol.
What is the SMILES notation for 2-[(2-methyl-4-phenylanilino)methyl]phenol?
The canonical SMILES for 2-[(2-methyl-4-phenylanilino)methyl]phenol is Cc1cc(-c2ccccc2)ccc1NCc1ccccc1O.
What is the InChIKey of 2-[(2-methyl-4-phenylanilino)methyl]phenol?
The InChIKey is NDRWOTBGZUGYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO/c1-15-13-17(16-7-3-2-4-8-16)11-12-19(15)21-14-18-9-5-6-10-20(18)22/h2-13,21-22H,14H2,1H3.
What are the key properties of 2-[(2-methyl-4-phenylanilino)methyl]phenol?
2-[(2-methyl-4-phenylanilino)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-[(2-methyl-4-phenylanilino)methyl]phenol is sourced from PubChem (CID 122182759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).