2-[[(6-phenyl-3-pyridinyl)amino]methyl]phenol

C18H16N2O — CID 122182763

IUPAC2-[[(6-phenyl-3-pyridinyl)amino]methyl]phenol
SMILESOc1ccccc1CNc1ccc(-c2ccccc2)nc1
InChIInChI=1S/C18H16N2O/c21-18-9-5-4-8-15(18)12-19-16-10-11-17(20-13-16)14-6-2-1-3-7-14/h1-11,13,19,21H,12H2
InChIKeyAUBJGAKLJQFCQL-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.07
Rot. Bonds4

About 2-[[(6-phenyl-3-pyridinyl)amino]methyl]phenol

2-[[(6-phenyl-3-pyridinyl)amino]methyl]phenol (PubChem CID 122182763) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[[(6-phenyl-3-pyridinyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-[[(6-phenyl-3-pyridinyl)amino]methyl]phenol
PubChem CID122182763
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name2-[[(6-phenyl-3-pyridinyl)amino]methyl]phenol
SMILESOc1ccccc1CNc1ccc(-c2ccccc2)nc1
InChIInChI=1S/C18H16N2O/c21-18-9-5-4-8-15(18)12-19-16-10-11-17(20-13-16)14-6-2-1-3-7-14/h1-11,13,19,21H,12H2
InChIKeyAUBJGAKLJQFCQL-UHFFFAOYSA-N
XLogP4.07
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.07
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-[[(6-phenyl-3-pyridinyl)amino]methyl]phenol?
The IUPAC name of 2-[[(6-phenyl-3-pyridinyl)amino]methyl]phenol (CID 122182763) is 2-[[(6-phenyl-3-pyridinyl)amino]methyl]phenol.
What is the SMILES notation for 2-[[(6-phenyl-3-pyridinyl)amino]methyl]phenol?
The canonical SMILES for 2-[[(6-phenyl-3-pyridinyl)amino]methyl]phenol is Oc1ccccc1CNc1ccc(-c2ccccc2)nc1.
What is the InChIKey of 2-[[(6-phenyl-3-pyridinyl)amino]methyl]phenol?
The InChIKey is AUBJGAKLJQFCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c21-18-9-5-4-8-15(18)12-19-16-10-11-17(20-13-16)14-6-2-1-3-7-14/h1-11,13,19,21H,12H2.
What are the key properties of 2-[[(6-phenyl-3-pyridinyl)amino]methyl]phenol?
2-[[(6-phenyl-3-pyridinyl)amino]methyl]phenol has a molecular weight of 276.34 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(6-phenyl-3-pyridinyl)amino]methyl]phenol is sourced from PubChem (CID 122182763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).