2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-5-(2-methyloctan-2-yl)phenol

C21H33NO — CID 15571562

IUPAC2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-5-(2-methyloctan-2-yl)phenol
SMILESCCCCCCC(C)(C)c1ccc(C2=CCCN(C)C2)c(O)c1
InChIInChI=1S/C21H33NO/c1-5-6-7-8-13-21(2,3)18-11-12-19(20(23)15-18)17-10-9-14-22(4)16-17/h10-12,15,23H,5-9,13-14,16H2,1-4H3
InChIKeyUGFWCXQBTKWTNB-UHFFFAOYSA-N
MW315.50 g/mol
LogP5.36
Rot. Bonds7

About 2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-5-(2-methyloctan-2-yl)phenol

2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-5-(2-methyloctan-2-yl)phenol (PubChem CID 15571562) has the molecular formula C21H33NO and a molecular weight of 315.50 g/mol. Its IUPAC name is 2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-5-(2-methyloctan-2-yl)phenol.

Molecular Properties

Compound Name2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-5-(2-methyloctan-2-yl)phenol
PubChem CID15571562
Molecular FormulaC21H33NO
Molecular Weight315.50 g/mol
Exact Mass315.26
IUPAC Name2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-5-(2-methyloctan-2-yl)phenol
SMILESCCCCCCC(C)(C)c1ccc(C2=CCCN(C)C2)c(O)c1
InChIInChI=1S/C21H33NO/c1-5-6-7-8-13-21(2,3)18-11-12-19(20(23)15-18)17-10-9-14-22(4)16-17/h10-12,15,23H,5-9,13-14,16H2,1-4H3
InChIKeyUGFWCXQBTKWTNB-UHFFFAOYSA-N
XLogP5.36
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.50
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-5-(2-methyloctan-2-yl)phenol?
The IUPAC name of 2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-5-(2-methyloctan-2-yl)phenol (CID 15571562) is 2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-5-(2-methyloctan-2-yl)phenol.
What is the SMILES notation for 2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-5-(2-methyloctan-2-yl)phenol?
The canonical SMILES for 2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-5-(2-methyloctan-2-yl)phenol is CCCCCCC(C)(C)c1ccc(C2=CCCN(C)C2)c(O)c1.
What is the InChIKey of 2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-5-(2-methyloctan-2-yl)phenol?
The InChIKey is UGFWCXQBTKWTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33NO/c1-5-6-7-8-13-21(2,3)18-11-12-19(20(23)15-18)17-10-9-14-22(4)16-17/h10-12,15,23H,5-9,13-14,16H2,1-4H3.
What are the key properties of 2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-5-(2-methyloctan-2-yl)phenol?
2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-5-(2-methyloctan-2-yl)phenol has a molecular weight of 315.50 g/mol, XLogP of 5.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-5-(2-methyloctan-2-yl)phenol is sourced from PubChem (CID 15571562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).