4-methyl-2-[[(4-methyl-2-pyridinyl)amino]methyl]phenol

C14H16N2O — CID 890374

IUPAC4-methyl-2-[[(4-methyl-2-pyridinyl)amino]methyl]phenol
SMILESCc1ccnc(NCc2cc(C)ccc2O)c1
InChIInChI=1S/C14H16N2O/c1-10-3-4-13(17)12(7-10)9-16-14-8-11(2)5-6-15-14/h3-8,17H,9H2,1-2H3,(H,15,16)
InChIKeyNTEXIBSAXOYORQ-UHFFFAOYSA-N
MW228.30 g/mol
LogP3.02
Rot. Bonds3

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

4-methyl-2-[[(4-methyl-2-pyridinyl)amino]methyl]phenol (PubChem CID 890374) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 4-methyl-2-[[(4-methyl-2-pyridinyl)amino]methyl]phenol.

Molecular Properties

Compound Name4-methyl-2-[[(4-methyl-2-pyridinyl)amino]methyl]phenol
PubChem CID890374
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name4-methyl-2-[[(4-methyl-2-pyridinyl)amino]methyl]phenol
SMILESCc1ccnc(NCc2cc(C)ccc2O)c1
InChIInChI=1S/C14H16N2O/c1-10-3-4-13(17)12(7-10)9-16-14-8-11(2)5-6-15-14/h3-8,17H,9H2,1-2H3,(H,15,16)
InChIKeyNTEXIBSAXOYORQ-UHFFFAOYSA-N
XLogP3.02
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 53.02
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 4-methyl-2-[[(4-methyl-2-pyridinyl)amino]methyl]phenol?
The IUPAC name of 4-methyl-2-[[(4-methyl-2-pyridinyl)amino]methyl]phenol (CID 890374) is 4-methyl-2-[[(4-methyl-2-pyridinyl)amino]methyl]phenol.
What is the SMILES notation for 4-methyl-2-[[(4-methyl-2-pyridinyl)amino]methyl]phenol?
The canonical SMILES for 4-methyl-2-[[(4-methyl-2-pyridinyl)amino]methyl]phenol is Cc1ccnc(NCc2cc(C)ccc2O)c1.
What is the InChIKey of 4-methyl-2-[[(4-methyl-2-pyridinyl)amino]methyl]phenol?
The InChIKey is NTEXIBSAXOYORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-10-3-4-13(17)12(7-10)9-16-14-8-11(2)5-6-15-14/h3-8,17H,9H2,1-2H3,(H,15,16).
What are the key properties of 4-methyl-2-[[(4-methyl-2-pyridinyl)amino]methyl]phenol?
4-methyl-2-[[(4-methyl-2-pyridinyl)amino]methyl]phenol has a molecular weight of 228.30 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[(4-methyl-2-pyridinyl)amino]methyl]phenol is sourced from PubChem (CID 890374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).