2-[[cyclohexyl(methyl)amino]methyl]-4-(6-methoxy-2-pyridinyl)phenol

C20H26N2O2 — CID 135971341

IUPAC2-[[cyclohexyl(methyl)amino]methyl]-4-(6-methoxy-2-pyridinyl)phenol
SMILESCOc1cccc(-c2ccc(O)c(CN(C)C3CCCCC3)c2)n1
InChIInChI=1S/C20H26N2O2/c1-22(17-7-4-3-5-8-17)14-16-13-15(11-12-19(16)23)18-9-6-10-20(21-18)24-2/h6,9-13,17,23H,3-5,7-8,14H2,1-2H3
InChIKeyTVBHQIJOEUTJHG-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.23
Rot. Bonds5

About 2-[[cyclohexyl(methyl)amino]methyl]-4-(6-methoxy-2-pyridinyl)phenol

2-[[cyclohexyl(methyl)amino]methyl]-4-(6-methoxy-2-pyridinyl)phenol (PubChem CID 135971341) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-[[cyclohexyl(methyl)amino]methyl]-4-(6-methoxy-2-pyridinyl)phenol.

Molecular Properties

Compound Name2-[[cyclohexyl(methyl)amino]methyl]-4-(6-methoxy-2-pyridinyl)phenol
PubChem CID135971341
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name2-[[cyclohexyl(methyl)amino]methyl]-4-(6-methoxy-2-pyridinyl)phenol
SMILESCOc1cccc(-c2ccc(O)c(CN(C)C3CCCCC3)c2)n1
InChIInChI=1S/C20H26N2O2/c1-22(17-7-4-3-5-8-17)14-16-13-15(11-12-19(16)23)18-9-6-10-20(21-18)24-2/h6,9-13,17,23H,3-5,7-8,14H2,1-2H3
InChIKeyTVBHQIJOEUTJHG-UHFFFAOYSA-N
XLogP4.23
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[[cyclohexyl(methyl)amino]methyl]-4-(6-methoxy-2-pyridinyl)phenol?
The IUPAC name of 2-[[cyclohexyl(methyl)amino]methyl]-4-(6-methoxy-2-pyridinyl)phenol (CID 135971341) is 2-[[cyclohexyl(methyl)amino]methyl]-4-(6-methoxy-2-pyridinyl)phenol.
What is the SMILES notation for 2-[[cyclohexyl(methyl)amino]methyl]-4-(6-methoxy-2-pyridinyl)phenol?
The canonical SMILES for 2-[[cyclohexyl(methyl)amino]methyl]-4-(6-methoxy-2-pyridinyl)phenol is COc1cccc(-c2ccc(O)c(CN(C)C3CCCCC3)c2)n1.
What is the InChIKey of 2-[[cyclohexyl(methyl)amino]methyl]-4-(6-methoxy-2-pyridinyl)phenol?
The InChIKey is TVBHQIJOEUTJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-22(17-7-4-3-5-8-17)14-16-13-15(11-12-19(16)23)18-9-6-10-20(21-18)24-2/h6,9-13,17,23H,3-5,7-8,14H2,1-2H3.
What are the key properties of 2-[[cyclohexyl(methyl)amino]methyl]-4-(6-methoxy-2-pyridinyl)phenol?
2-[[cyclohexyl(methyl)amino]methyl]-4-(6-methoxy-2-pyridinyl)phenol has a molecular weight of 326.44 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclohexyl(methyl)amino]methyl]-4-(6-methoxy-2-pyridinyl)phenol is sourced from PubChem (CID 135971341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).