2-[[[6-(4-methylphenyl)-3-pyridinyl]amino]methyl]phenol

C19H18N2O — CID 122182767

IUPAC2-[[[6-(4-methylphenyl)-3-pyridinyl]amino]methyl]phenol
SMILESCc1ccc(-c2ccc(NCc3ccccc3O)cn2)cc1
InChIInChI=1S/C19H18N2O/c1-14-6-8-15(9-7-14)18-11-10-17(13-21-18)20-12-16-4-2-3-5-19(16)22/h2-11,13,20,22H,12H2,1H3
InChIKeySOGJFVFTNTYDDA-UHFFFAOYSA-N
MW290.37 g/mol
LogP4.37
Rot. Bonds4

About 2-[[[6-(4-methylphenyl)-3-pyridinyl]amino]methyl]phenol

2-[[[6-(4-methylphenyl)-3-pyridinyl]amino]methyl]phenol (PubChem CID 122182767) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-[[[6-(4-methylphenyl)-3-pyridinyl]amino]methyl]phenol.

Molecular Properties

Compound Name2-[[[6-(4-methylphenyl)-3-pyridinyl]amino]methyl]phenol
PubChem CID122182767
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name2-[[[6-(4-methylphenyl)-3-pyridinyl]amino]methyl]phenol
SMILESCc1ccc(-c2ccc(NCc3ccccc3O)cn2)cc1
InChIInChI=1S/C19H18N2O/c1-14-6-8-15(9-7-14)18-11-10-17(13-21-18)20-12-16-4-2-3-5-19(16)22/h2-11,13,20,22H,12H2,1H3
InChIKeySOGJFVFTNTYDDA-UHFFFAOYSA-N
XLogP4.37
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 54.37
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-(4-methylphenyl)-3-pyridinyl]amino]methyl]phenol?
The IUPAC name of 2-[[[6-(4-methylphenyl)-3-pyridinyl]amino]methyl]phenol (CID 122182767) is 2-[[[6-(4-methylphenyl)-3-pyridinyl]amino]methyl]phenol.
What is the SMILES notation for 2-[[[6-(4-methylphenyl)-3-pyridinyl]amino]methyl]phenol?
The canonical SMILES for 2-[[[6-(4-methylphenyl)-3-pyridinyl]amino]methyl]phenol is Cc1ccc(-c2ccc(NCc3ccccc3O)cn2)cc1.
What is the InChIKey of 2-[[[6-(4-methylphenyl)-3-pyridinyl]amino]methyl]phenol?
The InChIKey is SOGJFVFTNTYDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c1-14-6-8-15(9-7-14)18-11-10-17(13-21-18)20-12-16-4-2-3-5-19(16)22/h2-11,13,20,22H,12H2,1H3.
What are the key properties of 2-[[[6-(4-methylphenyl)-3-pyridinyl]amino]methyl]phenol?
2-[[[6-(4-methylphenyl)-3-pyridinyl]amino]methyl]phenol has a molecular weight of 290.37 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[6-(4-methylphenyl)-3-pyridinyl]amino]methyl]phenol is sourced from PubChem (CID 122182767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).